HMDB0253338 RDKit 3D Iolopride 42 43 0 0 0 0 0 0 0 0999 V2000 4.0512 -1.9323 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -1.6714 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 -0.3606 -0.4305 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 0.6819 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 1.4412 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 0.7802 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 0.0010 0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 1.0085 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.4331 0.6481 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 1.2158 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 2.4084 1.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 0.8475 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 -0.4225 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 -1.3888 -0.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 -2.6563 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4001 -0.7724 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4366 0.1111 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 1.3587 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7516 2.7358 0.1775 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 1.7358 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 3.0049 0.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 -2.8414 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 -1.1038 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 -2.1737 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 -2.4185 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -1.7431 -1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 1.3558 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 0.1963 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 2.5068 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 1.4308 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2031 0.1402 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 1.5675 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -0.8397 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 1.8872 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 1.3962 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -0.5341 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -3.1921 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9387 -2.6009 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 -3.2749 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -1.7787 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4546 -0.1458 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 3.6059 1.1995 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 7 3 1 0 20 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 21 42 1 0 M END