HMDB0015692 RDKit 3D Isothipendyl 39 41 0 0 0 0 0 0 0 0999 V2000 1.6254 -0.6721 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 0.3119 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 0.0987 0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 0.0307 0.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -1.2072 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -2.3650 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -3.6056 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 -3.7720 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 -2.6452 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 -1.4065 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 0.0356 -0.6931 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8338 1.4258 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 2.6527 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 3.7801 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 3.6119 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 2.3805 0.8036 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 1.2652 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 0.6254 0.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -0.4872 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 1.2101 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -0.7658 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 -1.6377 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 -0.2148 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 1.2948 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 1.0405 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -0.6753 1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 -2.2481 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.4824 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 -4.7476 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 -2.6938 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 2.7772 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 4.7683 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 4.4752 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -0.0544 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -1.1135 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 -1.0835 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 1.6962 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 1.9563 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 0.4405 -0.8639 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 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 2 18 1 0 18 19 1 0 18 20 1 0 17 4 1 0 10 5 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 19 34 1 0 19 35 1 0 19 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 M END