HMDB0030281 RDKit 3D Calycanthidine 55 60 0 0 0 0 0 0 0 0999 V2000 -3.2351 -1.9579 1.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 -0.8025 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 0.1240 2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 0.4103 1.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.0494 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 -0.1810 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.5141 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.1189 -2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 -1.6759 -1.0725 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -3.0728 -1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -1.3248 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 -0.6934 1.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 -1.3101 2.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 0.6394 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3885 1.5243 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 2.7574 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 3.0826 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 2.2131 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 0.9800 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 1.0182 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7647 2.3889 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 3.0450 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 2.3206 -1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 0.9613 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 0.3254 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -1.0588 -1.0288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -1.1602 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -2.2813 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -2.7988 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 -1.7922 2.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -0.2088 3.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 1.0677 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -0.1839 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4798 1.5098 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4079 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 -1.1967 -2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 -0.3626 -2.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 -1.9364 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 -3.1675 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -3.5235 -2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 -3.6064 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8593 -2.1514 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -2.1054 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0871 -0.5399 2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 -1.7967 2.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 1.2435 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 3.4931 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 4.0542 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 2.5240 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 3.0163 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 4.1225 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 2.7876 -2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 0.3890 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -1.8281 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -2.1053 0.4262 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 5 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 2 1 0 27 5 1 0 11 6 1 0 19 14 1 0 25 20 1 0 19 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 10 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 13 43 1 0 13 44 1 0 13 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 21 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 27 55 1 0 M END