HMDB0014561 RDKit 3D Penicillin V 42 44 0 0 0 0 0 0 0 0999 V2000 3.5580 -1.8120 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -0.7835 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 -1.3474 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 0.0430 1.5605 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 1.7633 1.1093 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8353 2.5372 0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3392 1.7669 0.2266 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 2.2002 0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 3.2661 1.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 1.4089 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 0.2468 -0.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 -0.6382 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 -1.7828 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0482 -2.7121 -1.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3777 -2.4673 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -1.3404 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 -0.4253 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 2.6428 -0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 3.4266 -1.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 1.5236 -0.2272 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 0.4011 -0.1979 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6465 0.7320 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 1.8795 1.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 -0.1514 0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -1.4497 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -2.0701 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -2.7287 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 -2.4263 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0187 -0.7806 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -1.2734 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 2.3098 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 3.4789 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 0.8836 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 1.1530 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5176 2.0185 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 -1.9745 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -3.6061 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1418 -3.1634 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7563 -1.1464 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 0.4473 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 0.1944 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -0.2439 1.7814 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 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 2 1 0 20 5 1 0 17 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 5 31 1 1 6 32 1 1 7 33 1 0 10 34 1 0 10 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 21 41 1 6 24 42 1 0 M END