HMDB0002227 RDKit 3D Capsaicin 49 49 0 0 0 0 0 0 0 0999 V2000 6.3184 3.5284 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2982 2.2061 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 1.1310 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1712 1.0261 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -0.2437 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1991 -0.4241 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 -0.3908 -0.5962 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 -0.3494 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 -0.1805 -1.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 -2.1117 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -2.3430 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -1.8458 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 -0.4608 1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 0.3214 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -0.1271 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 0.7140 -0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5814 2.1243 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8759 0.0832 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -1.3811 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7367 -1.2495 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2921 -0.0701 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6644 0.1492 0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 4.2239 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 3.8509 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4222 3.7813 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 1.8559 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -1.5634 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 -1.3380 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.9870 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1878 -2.1069 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 -2.4078 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 -1.8372 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 -3.4216 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -2.4296 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -2.3362 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7538 -0.4410 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 0.1232 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 1.4285 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -1.2008 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4733 0.6362 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1978 2.3022 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6143 2.6616 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1498 2.6923 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0042 0.2634 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7083 -1.0226 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6937 0.3730 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -2.3799 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 -2.1887 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -0.6116 0.5876 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 5 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 22 49 1 0 M END