HMDB0014645 RDKit 3D Haloperidol 49 51 0 0 0 0 0 0 0 0999 V2000 -3.5892 1.9149 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9473 0.7203 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -0.3399 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 0.2410 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5215 -0.8968 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 -0.5228 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 0.1691 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 1.3158 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 0.9606 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 2.2227 0.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4728 0.2928 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -1.0596 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 -1.6901 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8232 -0.9776 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 -1.7895 -1.4867 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 0.3758 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 0.9777 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 0.2292 1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 -0.6478 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3429 0.3352 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 1.2626 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7023 0.9152 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9771 -0.4385 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3003 -0.8121 -0.1349 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0037 -1.4114 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6755 -1.0205 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -0.9122 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -1.1025 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 0.9026 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.9060 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -1.3833 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7308 -1.6791 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.5405 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 0.5724 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8726 1.6076 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 2.1636 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 2.4581 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.6709 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 -2.7528 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 0.9185 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 2.0461 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -0.3232 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.9707 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -1.7209 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 -0.5724 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1336 2.3184 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 1.6760 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 -2.4375 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 -1.7709 0.0228 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 9 18 1 0 18 19 1 0 2 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 19 6 1 0 26 20 1 0 17 11 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 25 48 1 0 26 49 1 0 M END