HMDB0248768 RDKit 3D Azasetron 44 47 0 0 0 0 0 0 0 0999 V2000 5.7475 0.2124 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 0.3283 -0.4239 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.9212 -1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 1.6531 -2.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 0.6547 -1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 0.5410 -0.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 -0.0479 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 -0.5308 1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -0.4025 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.8728 2.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 0.1335 0.3938 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 0.2407 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 1.5927 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9135 1.4270 -0.5452 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5566 0.4134 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0851 -0.9921 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -0.7949 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 -0.1373 -2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9084 0.8984 -1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 -1.1175 2.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 -1.2171 2.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -1.9597 4.2005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.7510 1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -0.1682 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2445 0.5284 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0605 -0.8191 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 0.8718 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -0.2868 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 1.4407 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 -1.6021 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 0.1042 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 2.3343 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 1.9238 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 0.5874 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6369 0.4427 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7224 -1.4310 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 -1.5966 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 -1.7275 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 0.3285 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1753 -0.9107 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7919 1.7014 -2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 0.4059 -2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -1.4937 3.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -0.8261 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 8 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 2 1 0 24 7 1 0 17 12 1 0 19 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 5 29 1 0 10 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 23 44 1 0 M END