HMDB0257372 RDKit 3D [(2S,3As,7aS)-Octahydro-1-[[(1R,2R)-2-phenylcyclopropyl]carbonyl]-1H-indol-2-... 55 59 0 0 0 0 0 0 0 0999 V2000 -1.2869 -1.3637 2.3235 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -1.4560 1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -0.7035 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7843 0.5472 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 1.6836 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 2.9254 -0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 3.1154 -1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 3.0094 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 1.9622 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 1.0199 -0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -0.1680 -0.1056 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -0.7272 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -1.9129 0.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.1601 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 -0.5921 1.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -1.1186 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -0.6732 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -1.4939 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 -1.0399 -1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 0.2613 -1.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 1.1042 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 0.6381 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -2.3138 1.4279 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -2.5403 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 -1.9964 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3584 -2.6934 2.6981 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 -3.1423 2.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -1.2605 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 0.5709 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 0.5500 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 1.7900 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 3.7954 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 2.9945 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 2.4244 -2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 4.1455 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 2.5946 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 3.9667 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.5670 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 1.5064 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 0.6663 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 0.8575 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.2210 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -1.2683 2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -2.1818 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 -2.5164 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 -1.7243 -2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 0.5724 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 2.1132 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 1.3665 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0289 -1.9560 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 -3.6258 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5149 -0.8872 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -2.4294 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 -4.2090 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1016 -2.8152 3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 2 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 11 3 1 0 16 14 1 0 22 17 1 0 27 23 1 0 10 5 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 27 54 1 0 27 55 1 0 M END