HMDB0255959 RDKit 3D Olprinone 29 31 0 0 0 0 0 0 0 0999 V2000 -1.0703 -1.7717 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.6039 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.6131 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 0.4285 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 0.3648 0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 1.5128 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8908 2.5866 1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 3.4639 1.7599 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 1.4993 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.4355 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 0.3820 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 1.4758 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 1.4723 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 0.3529 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 0.0435 0.2418 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.1907 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -1.6780 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -0.6927 0.5948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 -0.7043 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 -2.6473 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 -1.5973 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -2.1498 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -1.4232 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 2.3258 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 2.3471 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 2.3542 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 -1.7439 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -2.6504 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -1.5788 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 3 0 6 9 2 0 9 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 17 18 1 0 18 19 1 0 10 2 2 0 19 11 2 0 18 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 9 24 1 0 12 25 1 0 13 26 1 0 16 27 1 0 17 28 1 0 19 29 1 0 M END