HMDB0248879 RDKit 3D Batelapine 42 45 0 0 0 0 0 0 0 0999 V2000 1.1685 4.2162 -1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 2.7307 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 1.9243 -1.5113 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.6335 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 0.6639 -0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 1.9223 -0.2929 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0979 -0.4024 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 -0.1616 0.4765 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2354 -0.6074 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 -0.9273 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 0.3400 0.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 0.9542 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 1.2369 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 0.5203 1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -1.5453 0.6088 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -1.9602 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 -2.9024 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 -3.4063 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 -2.9670 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -2.0306 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -1.5240 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -0.5376 -1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 4.5354 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 4.6312 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 4.5525 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 -1.5159 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.1541 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1678 -1.4743 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1978 -1.5328 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8324 0.7300 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 2.0502 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 0.5387 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 1.9999 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 1.8317 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 -0.1696 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 1.3315 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 -3.2626 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -4.1474 2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -3.4065 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -1.7230 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 -1.0573 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -0.2359 -1.9997 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 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 7 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 6 2 2 0 14 8 1 0 21 16 1 0 22 4 1 0 1 23 1 0 1 24 1 0 1 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 22 42 1 0 M END