HMDB0015474 RDKit 3D Methotrimeprazine 47 49 0 0 0 0 0 0 0 0999 V2000 4.7252 -3.7586 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 -3.1232 -0.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2409 -1.8175 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -1.1435 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 0.1252 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 0.6892 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6829 0.0662 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 -1.2226 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 0.7094 -0.4201 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -0.1696 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 -1.2564 -0.3501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8727 -2.0758 -1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 -0.9472 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 -0.2696 0.7696 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 1.0276 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -1.0806 1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 2.0501 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 2.6000 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 3.9345 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4941 4.7921 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 4.2756 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8886 2.9498 0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 2.3206 1.5713 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 -4.7642 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 -3.2394 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7888 -3.8795 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0081 -1.6263 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 0.6407 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -1.8100 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -0.6603 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 0.2414 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -1.9974 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -2.9343 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -1.3682 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 -2.4429 -2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -1.9435 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.4462 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 1.7938 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4069 1.2377 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 1.3884 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 -1.1514 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 -0.6437 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1534 -2.1016 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 1.9575 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 4.3169 -1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 5.8578 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 4.8990 1.3553 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 8 3 1 0 22 17 1 0 23 6 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 8 29 1 0 10 30 1 0 10 31 1 0 11 32 1 1 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 M END