HMDB0015377 RDKit 3D Isocarboxazid 30 31 0 0 0 0 0 0 0 0999 V2000 6.5294 0.2650 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 0.2459 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0043 -0.2198 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 -0.0596 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -0.4169 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 -0.8829 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 -0.2524 -0.8554 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -0.6027 -0.4735 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 0.5937 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 0.2329 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 0.3766 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 0.0547 1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -0.4116 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 -0.5690 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -0.2301 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 0.4826 -1.3687 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6697 0.6535 -1.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6064 0.8560 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1671 0.6568 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -0.7569 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.6338 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 0.1161 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -0.8276 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 1.4449 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 0.9142 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 0.7510 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.1845 2.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4632 -0.6678 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0171 -0.9398 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7819 -0.3574 -2.1360 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 16 2 0 16 17 1 0 17 2 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 M END