HMDB0253591 RDKit 3D Isamoxole 36 36 0 0 0 0 0 0 0 0999 V2000 4.5061 0.4130 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -0.8205 -0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 -0.5587 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 -0.2963 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -0.0443 0.1458 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.2805 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7799 2.1789 -0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4997 1.7340 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 3.1566 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 1.8166 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -1.0904 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 -0.9528 0.4918 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -2.1449 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 -2.4853 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 -3.0088 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4234 -2.3391 -0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 1.2879 -0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5009 0.6187 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 0.2290 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -0.9583 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -1.7252 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 0.3286 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 -1.4100 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -1.1714 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 0.5516 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 1.0897 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 3.7236 -0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 3.6048 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 3.1444 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 1.3999 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 2.8979 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 1.3782 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9513 -3.5534 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -1.8029 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5725 -2.3979 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -4.0736 -0.1484 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 5 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 M END