HMDB0260049 RDKit 3D zotepine 40 42 0 0 0 0 0 0 0 0999 V2000 -4.2560 1.7391 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 0.4262 0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4749 -0.2851 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 -0.3704 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.2053 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 -0.5740 -0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -0.3480 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 0.8860 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 1.5006 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 2.7894 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 3.5829 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 3.0374 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 1.7515 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 0.9751 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6895 -0.6109 1.4371 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 -1.8102 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1012 -3.1074 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 -4.1593 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -3.9699 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -5.3159 -0.9076 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -2.6874 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 -1.5802 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6459 1.7632 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3014 2.0352 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 2.4434 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7067 -0.3798 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3645 -1.2892 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2825 0.3184 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -1.3959 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -0.4625 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 0.0633 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7534 1.2627 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 1.6542 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 3.1979 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 4.6024 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4429 3.6791 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4681 1.3835 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0822 -3.2565 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -5.1784 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3418 -2.5156 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 7 1 0 14 9 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 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 8 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 17 38 1 0 18 39 1 0 21 40 1 0 M END