HMDB0030749 RDKit 3D Heterotropan 62 64 0 0 0 0 0 0 0 0999 V2000 4.1764 3.3806 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 2.1920 1.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 1.3224 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 1.5758 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 0.7124 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 1.0134 -2.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 2.1285 -3.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -0.4658 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -1.3188 -1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 -2.6902 -0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 -3.8122 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.5776 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 -3.0781 -3.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -1.0847 -1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 -0.4191 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 -1.0790 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 -0.4495 1.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -1.1726 2.6699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -2.5824 2.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 0.9297 1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 1.5524 2.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 2.9663 2.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 1.6445 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 0.9541 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 1.7600 -1.4793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 3.1679 -1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -0.7077 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 0.1695 1.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 -0.0716 2.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -1.1896 3.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 3.8260 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 4.0707 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 3.1566 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 2.4826 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 3.0324 -2.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0931 1.8771 -3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 2.2519 -4.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 -1.4665 -2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 -2.7489 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -4.7257 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 -3.9805 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5818 -3.5904 -2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8446 -3.0842 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 -2.5220 -3.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 -2.8320 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -4.1407 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -0.6122 -2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -2.1440 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 -2.9458 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 -3.0747 3.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -2.8191 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 3.2173 3.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 3.3341 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 3.4433 2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 2.7297 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 3.5151 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 3.5801 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 3.5247 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -1.5860 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -1.2265 3.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -1.1605 4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -2.1527 3.0615 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 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 8 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 28 3 1 0 14 9 1 0 24 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 16 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 22 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 30 60 1 0 30 61 1 0 30 62 1 0 M END