HMDB0015315 RDKit 3D Domperidone 54 58 0 0 0 0 0 0 0 0999 V2000 -4.4018 2.9464 1.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 1.9770 1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1161 1.7433 0.9079 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2326 0.6407 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3153 -0.0566 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0894 -1.1690 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8078 -1.5935 -1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7178 -0.9004 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 0.2248 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 1.0442 0.5056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.9670 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.1094 1.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.0475 1.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 -0.5770 0.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 0.2100 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.4127 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 -0.8767 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -0.8262 -0.3153 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 -1.7168 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.7890 1.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5738 -1.3189 0.9168 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.1738 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 0.6943 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 1.8426 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3119 2.9259 -0.5262 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8192 2.1143 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6963 1.2979 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 0.1620 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 -1.9802 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 -1.4476 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9024 2.2975 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3184 0.2984 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9131 -1.7222 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5879 -2.4551 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7139 -1.2135 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 1.9960 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 0.6235 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -0.8786 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 0.5420 2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 0.9415 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 -0.7695 2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 1.2263 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -0.2073 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 0.7736 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 1.0864 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 -1.1865 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 -1.7770 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 0.4287 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8012 3.0039 -1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 1.4935 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 -2.1487 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 -2.9331 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 -2.3319 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 -0.9272 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 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 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 17 29 1 0 29 30 1 0 10 2 1 0 30 14 1 0 9 4 1 0 28 18 1 0 28 22 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 21 47 1 0 23 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 29 52 1 0 30 53 1 0 30 54 1 0 M END