acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    3.1267   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    2.3292   -1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    3.4810   -2.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    4.0484   -2.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978    2.5277   -3.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    2.0380   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    2.9080   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305    3.9877   -3.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    3.1267   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    2.3292   -1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    2.3299   -3.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    3.4045   -2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9627    4.0271   -2.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    2.0380   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    2.9080   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314    2.8705   -4.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    3.1267   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    2.3292   -1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462    4.3015   -2.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    2.5496   -3.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044    3.4293   -2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    2.0380   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    2.9080   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813    4.7841   -3.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224    0.5696    0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    1.0641    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2910   -0.2955   -0.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5266    1.4022    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941    0.0053    1.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412    1.7347    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    1.5803   -0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1764   -0.5907    0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    1.2713    2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    1.4191    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5031    0.1168    2.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    2.1390    2.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255    1.1424    3.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    2.2998    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.4920    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110    0.0549    3.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
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  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    1.2713    2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    1.4191    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003    1.1325    3.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161    0.3821    2.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2976    2.1594    2.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    2.2998    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.4920    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584    1.0407    4.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    1.2713    2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    1.4191    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4895    2.4289    2.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    1.1774    3.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3377    0.4001    2.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    2.2998    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.4920    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9978    2.2989    3.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967    3.8284   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416    2.6842   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    3.8933    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657    4.7852   -0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    3.6648   -1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    2.6030   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    2.8196    0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    4.6334    0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967    0.4614    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.9504    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9205    0.1880    1.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1515   -0.4602   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    1.2289    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525    1.8636    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4587    1.1343   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166   -0.1211    2.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    3.8322   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    2.6881    0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433    3.8500   -1.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182    3.7102    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5029    4.7889    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    2.8019   -0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300    2.6305    1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    4.5914   -1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
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  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    2.5164    2.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    2.0406    1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5118    2.7514    3.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420    1.7625    3.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    3.4537    3.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456    2.7882    0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    1.8184    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    3.0530    4.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    1.8816   -2.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    1.7077   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917    0.7110   -3.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    2.0241   -3.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    2.7328   -2.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385    1.5496   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    2.5816   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228    0.8583   -3.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    2.6922    2.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5364    2.2253    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3850    1.9420    3.6366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244    3.7510    2.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5415    2.5273    3.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    2.7819    0.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5534    2.3385    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092    2.2668    4.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1035   -0.7378    2.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804   -0.3095    1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -1.9041    1.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8178    0.0435    1.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.9786    3.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.0969    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.6077    2.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3212   -2.1475    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1035   -0.7378    2.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804   -0.3095    1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9907    0.3151    1.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347   -0.9471    3.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3691   -1.6231    1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.0969    2.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.6077    2.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8874    0.0063    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    2.7261   -2.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.9083   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192    1.8449   -3.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    3.3284   -2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776    3.3774   -2.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    2.5546   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    1.2170   -0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934    2.4012   -4.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    3.5756    1.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369    2.5646    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283    4.8037    1.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    3.7649    1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604    3.2254    2.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    2.9138   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    2.3683    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4266    5.4231    2.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0938    1.9917   -1.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    2.3292   -1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864    3.1727   -1.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.2552   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194    1.6095   -2.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819    2.7318   -0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2164    3.0505   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7551    2.9190   -2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135    3.3572   -0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182    2.3292   -1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    4.5492   -0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120    3.6026   -0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252    2.9899    0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301    2.6942   -2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354    2.0769   -0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    5.1807    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    2.7261   -2.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.9083   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    3.5792   -2.4165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651    2.0805   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136    3.3506   -2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    2.5546   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    1.2170   -0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    4.0844   -3.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822   -0.6029    2.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -0.5500    0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780   -1.1657    3.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720   -1.2288    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2779    0.4042    2.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650   -0.1212    0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8338   -1.5507    0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239   -1.1834    4.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058    2.7771   -1.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137    1.5796   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9371    2.5999   -1.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    3.7010   -1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    2.8652   -3.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831    0.6536   -2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551    1.7080   -2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    3.3817   -1.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720    1.5722   -2.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    1.3826   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    2.2213   -3.4207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    2.1963   -2.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.6044   -3.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834    0.8845   -0.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    2.3464   -0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504    2.3251   -4.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706    1.4879   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    1.0641    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635    2.5899   -0.8085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930    0.6757   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067    1.8042   -1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    0.7644    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8976    1.8765    0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0192    2.8322   -1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822    0.7129    3.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    0.1458    2.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470    0.5395    4.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599    0.1943    4.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.7832    3.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    0.2617    1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -0.9116    2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3735    0.9123    4.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822    0.7129    3.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    0.1458    2.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    2.0973    3.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335    0.6110    4.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890    0.2116    4.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    0.2617    1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -0.9116    2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319    2.4243    4.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4734    1.4103   -3.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559    1.2125   -2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058    0.1397   -4.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    1.9054   -4.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920    1.9984   -3.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    2.1717   -1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    0.5779   -2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    0.3055   -4.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    3.1003    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    1.7339    1.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380    3.5956    1.6786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510    3.8107    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559    3.0309   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702    1.3198    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961    1.7938    2.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144    4.4670    1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    2.5709    0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1548    1.1446    1.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7830    3.4425    0.8987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    2.6886    0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0652    2.8640    1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704    0.8468    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291    1.0340    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    4.3417    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392    2.1507    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    1.5515    1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340    1.2846    0.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558    2.2623   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386    3.1227    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867    1.4254    2.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    2.1821    1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465    1.6986   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4734    1.4103   -3.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559    1.2125   -2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486    2.1993   -3.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    0.4522   -3.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    1.9375   -4.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    2.1717   -1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    0.5779   -2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    2.3043   -4.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1844    2.2195    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.9504    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510    1.9531    2.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002    3.0146    0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.5560    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    1.1173   -1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058    0.5830    0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    2.7839    2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358    2.9873    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702    2.5824   -0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971    3.3165    1.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182    2.1683    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104    3.8679    0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    3.3962   -0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    2.2896   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450    3.5694    2.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783    3.3234   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369    2.5646    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185    4.5357   -0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617    2.7420   -1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    3.5737   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877    2.3261    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676    3.1465    1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    4.9919   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006    2.0445   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353    1.9046   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105    1.1598   -1.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843    3.0639   -0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525    1.7766    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    2.5724   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    2.1185   -2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    1.2767   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242    2.8781   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    2.6881    0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    2.9385   -1.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015    3.8114   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881    2.0349   -0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090    2.6370    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    3.5031   -0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    3.0599   -2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    2.9168    1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    2.6523    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    4.2338    0.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    2.8437    2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311    2.2122    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048    3.3647    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010    2.7083   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035    4.3665    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413    1.0062    2.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804   -0.3095    1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9997    1.6725    2.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783    1.6587    2.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    0.8312    3.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504   -0.9559    1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.8260    2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    2.5060    2.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    2.2421   -2.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137    1.5796   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600    2.3735   -3.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5576    3.2415   -1.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2859    1.6297   -2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    2.1740   -1.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    0.5743   -2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479    2.7992   -4.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    2.2421   -2.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137    1.5796   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    3.5262   -1.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.4668   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.6556   -2.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2297    2.3733   -3.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    2.1740   -1.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    0.5743   -2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.2581   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.4445    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542    3.9179   -2.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    3.1378   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.9083   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    3.8908    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1455   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018    2.8600    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977    3.7709   -0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794    1.2769   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6397    2.1978   -1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    0.0555    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.8962    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    4.6658    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    2.9977    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4746    1.9575   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    3.9869    1.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872    3.4928    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6701    2.5381    1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    1.1774   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733    2.4261   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997    4.6323    1.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421    0.2521    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -0.5500    0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3771   -0.5765    0.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8812    0.6016   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5547    1.1070    0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705   -1.4200    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   -0.8770    1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0344   -0.0319   -0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    1.7900   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    1.0641    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335    0.8910   -1.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    2.1479   -1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1756    2.6325   -0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4266    0.6927    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    1.7249    1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9484    1.3883   -2.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421    0.2521    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -0.5500    0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6064    1.3686    1.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1392   -0.3500    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    0.6262   -0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705   -1.4200    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   -0.8770    1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2865    1.8558    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    2.9977    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4746    1.9575   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8156    2.3639    1.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325    3.7692    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073    3.4605    0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    1.1774   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733    2.4261   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2783    3.0571    2.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830    2.7273   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    1.3826   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763    3.3375   -1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904    2.6130    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4556    3.3869   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222    1.4954   -2.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923    0.8760   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3719    4.1915   -1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0457    1.2170    0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403    1.1837   -0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    2.3402    0.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.0732   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3282    1.3144    1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454    0.3128    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528    2.0932   -0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653    1.0660   -1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.6023    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996    1.1798   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3494    2.3287    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    0.6903    2.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    0.1458    2.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3846   -0.0273    2.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8121    0.5681    0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278    1.7474    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0330   -0.9171    1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593    0.2913    3.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    0.3469    2.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2487    0.9948    3.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889    0.6217    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005   -0.1121    3.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.2717    1.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.8449    3.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    1.2345    4.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269   -0.2383    2.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549    1.4698    2.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    1.2341    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.3938   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978    0.1624    4.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    2.6995   -1.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559    1.2125   -2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    3.3416   -2.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    2.8936   -0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8291    3.1305   -2.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419    0.7739   -1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1423    1.0294   -3.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0782    4.2870   -2.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    3.0068   -0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4746    1.9575   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    3.6350   -1.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290    3.7770   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    2.5441   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271    2.4065    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387    1.1826   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    4.2970   -2.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130   -0.9584   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413   -0.6873    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    0.2810   -0.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.0732   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3225   -1.5437   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3859   -1.4867   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -1.6208    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617   -0.1104    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.6023    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996    1.1798   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0347    0.0687   -1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    2.9168    1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    2.6523    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    1.9689    0.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.3440    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    3.9183    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    2.8060    2.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048    3.3647    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010    2.7083   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.6873   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.1103    0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0223    2.1683    1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    3.1003    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    1.7339    1.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    2.9792   -0.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.8490    1.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0282    3.5075    1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    3.7920    1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702    1.3198    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961    1.7938    2.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0915   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.0893   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274    3.8688   -0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006    2.0445   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353    1.9046   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978    1.7150    0.5886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.5682   -1.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3255    1.3656   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582    3.0752   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    2.5724   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    2.1185   -2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.1980    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.2008    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3861    1.8154    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.2821    2.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5872   -0.7345    1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037   -0.4026    3.9799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.0496    0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.9552    2.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300    0.8639    2.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5004   -1.3367    1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.3888    1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726    1.0314    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    0.8455   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.2768    4.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
acyclovi
  -OEChem-07021812403D

 27 28  0     0  0  0  0  0  0999 V2000
    1.6916   -1.0794    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -2.7637   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.9132   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -4.0229   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -3.2228   -2.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130   -0.9584   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413   -0.6873    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.3571    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -2.2500    0.4571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0767   -1.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776   -0.8295   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -4.1723   -2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -3.5787   -3.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -4.8433   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2859   -1.6680   -1.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.0732   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.3730    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1071   -0.0247   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996   -1.5739   -0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -1.6208    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617   -0.1104    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.6023    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996    1.1798   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -5.0314   -2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455   -2.9437   -3.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.4580   -3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202   -1.8229   -2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$
