HMDB0256623 RDKit 3D Pizotifen 42 45 0 0 0 0 0 0 0 0999 V2000 4.5292 -0.7588 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 0.3041 0.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -0.0054 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 -0.8182 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 0.0587 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5677 -0.0790 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 1.0104 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 2.2601 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 3.3409 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 3.0775 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 1.8156 1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 0.7213 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 -0.5774 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -1.6779 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -1.8749 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 -3.1365 -1.8044 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -2.8110 -2.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -1.7310 -2.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -1.2631 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3859 1.1257 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 0.5441 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 -0.8298 1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -0.5429 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 -1.7360 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 0.8566 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 -0.6836 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 -1.4418 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -1.5859 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 2.2848 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 4.3259 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2862 3.9508 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 1.6069 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -0.9090 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 -0.3757 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -2.6442 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.7481 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 -3.3194 -3.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 -1.2567 -2.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 1.8902 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 1.4973 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 -0.2584 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 1.3940 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 5 20 1 0 20 21 1 0 21 2 1 0 19 6 1 0 12 7 1 0 19 15 2 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 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 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 M END