HMDB0243556 RDKit 3D Blebbistatin 38 41 0 0 0 0 0 0 0 0999 V2000 5.8047 -0.1908 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3238 -0.0644 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 -0.0125 2.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 0.1040 2.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 0.1719 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 0.1219 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 0.0044 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 0.2628 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 0.5780 -2.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 0.0647 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -1.2006 -2.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 1.1017 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 0.7775 -2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8893 0.2974 -0.7797 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -0.0696 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 0.0900 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 -0.2531 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1263 -0.7517 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -0.9003 2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -0.5648 1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 0.2351 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1321 0.2316 0.7218 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1274 -1.1488 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1082 -0.3044 2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 0.6718 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -0.0676 3.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 0.1438 2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -0.0321 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.3763 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 2.1114 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 1.0064 -3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -0.0429 -2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 1.6562 -2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 0.4861 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3087 -0.1124 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9889 -1.0222 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 -1.2967 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -0.7053 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 7 2 1 0 21 10 1 0 22 5 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 M END