HMDB0015558 RDKit 3D Pipotiazine 65 68 0 0 0 0 0 0 0 0999 V2000 -6.9584 2.2330 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8076 3.0347 -0.3402 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 3.0020 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 2.7699 -1.4380 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.0240 3.0174 -2.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 3.6947 -1.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 1.1044 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 0.1334 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 -1.1596 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.4478 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 -0.5274 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 0.7789 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -0.8545 0.7185 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 0.2702 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 1.0693 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1639 0.1756 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 0.8802 -0.6617 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 1.8790 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 1.3283 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 0.5104 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 0.0361 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 -0.7682 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 -1.9225 -0.9078 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -0.5959 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 0.0360 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -2.1573 0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -2.3406 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 -3.6130 2.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -4.7248 1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -4.5541 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 -3.3059 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7157 -3.1692 -0.9596 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1587 1.4440 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8923 1.8545 -1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8458 2.9327 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 1.9465 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 3.6162 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 3.4350 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3558 0.4114 -2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 -1.9023 -2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 1.5549 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 0.9348 1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4158 0.0003 2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 1.4894 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 1.8737 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 -0.2536 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 -0.6636 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 2.5601 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 2.5239 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 0.7098 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 2.1845 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.2101 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9166 -0.5975 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 0.8916 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -1.0542 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4202 -0.1304 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -2.7515 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -1.2229 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -1.2264 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 0.6409 -2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -0.7899 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 -1.5688 2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 -3.7353 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -5.7112 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -5.4192 -0.0211 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 2 0 4 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 13 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 12 7 1 0 25 17 1 0 31 26 1 0 32 10 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 8 39 1 0 9 40 1 0 12 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 27 62 1 0 28 63 1 0 29 64 1 0 30 65 1 0 M END