HMDB0015186 RDKit 3D Penicillin G 41 43 0 0 0 0 0 0 0 0999 V2000 -4.2817 1.7291 1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1074 1.1814 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 2.2348 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 0.6311 1.8419 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 -1.1054 1.2180 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3494 -1.5459 0.8160 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7647 -0.6904 1.0784 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -1.2610 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -2.4615 0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 -0.3945 1.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.0985 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 1.1839 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 1.5248 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 0.6011 -2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 -0.6878 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 -1.0146 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -1.4398 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -1.8328 -1.6801 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -0.7867 -0.1719 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 -0.0595 -0.1612 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4186 -0.9261 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 -0.6022 0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 -2.3079 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 1.6425 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3324 1.3802 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 2.8405 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 3.2244 0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 2.0405 -1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 2.1366 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 -1.7962 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 -2.6344 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 0.3090 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -1.0043 1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 0.5357 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 1.8833 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.5060 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 0.8351 -3.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -1.3875 -2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7971 -2.0076 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 0.3041 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4765 -2.6793 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 2 1 0 19 5 1 0 16 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 5 30 1 1 6 31 1 1 7 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 20 40 1 6 23 41 1 0 M END