HMDB0249598 RDKit 3D Capsazepine 46 48 0 0 0 0 0 0 0 0999 V2000 -7.3027 -1.1228 -0.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9541 -0.9481 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 0.3256 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 0.4476 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 -0.6660 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 -1.9411 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -2.0651 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7443 -3.3501 -0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -0.7256 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 0.4067 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 0.1806 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 -1.1886 1.1108 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 1.1529 0.0387 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 0.9329 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -0.1338 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 -0.2809 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0483 -1.2419 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 -1.3797 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 -0.5905 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0186 -0.8381 1.1756 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 0.3700 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 0.5135 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 1.6597 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 2.0741 -0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 1.8672 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9011 -0.3308 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0381 1.1916 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -2.8222 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -4.1682 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.7509 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 -1.6903 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 2.0735 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 1.8642 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 0.5620 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 0.1479 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -1.0965 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -1.9098 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6007 -2.1291 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 0.9931 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.2627 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 2.4446 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 1.7150 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 3.1422 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 1.4778 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 2.5665 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0747 1.9981 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 5 9 1 0 9 10 1 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 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 10 23 1 0 23 24 1 0 24 25 1 0 7 2 1 0 22 16 1 0 25 4 1 0 1 26 1 0 3 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 23 42 1 0 24 43 1 0 24 44 1 0 25 45 1 0 25 46 1 0 M END