HMDB0014663 RDKit 3D Bentiromide 50 52 0 0 0 0 0 0 0 0999 V2000 7.1436 -3.8538 -0.2364 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 -2.6033 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2852 -1.8598 -0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 -1.9339 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 -0.5437 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 0.1056 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4224 -0.6098 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 0.0856 -0.7494 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 -0.4418 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -1.6378 -0.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 0.5706 -0.8408 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0463 1.5753 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 2.6479 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1914 2.4729 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 3.4156 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 4.5905 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 5.5307 0.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 4.7853 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 3.8307 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -0.1899 -0.7242 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -0.9812 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -1.0926 1.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -1.7146 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -2.4406 1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6056 -3.1560 1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 -3.1594 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -2.4690 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 -1.7574 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 -1.9686 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 -2.6629 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -1.6500 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 -0.0087 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 1.1775 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.1447 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 0.9714 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 1.0405 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 2.0501 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 1.5711 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 3.2597 1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 6.2237 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 5.6967 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 3.9765 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -0.1230 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -2.4169 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8698 -3.7066 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3548 -3.7201 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -2.4687 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -1.2361 -1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -2.5738 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -3.7428 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 11 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 7 29 1 0 29 30 2 0 30 4 1 0 19 13 1 0 28 23 1 0 3 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 11 35 1 6 12 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 29 49 1 0 30 50 1 0 M END