HMDB0253992 RDKit 3D Laurocapram 55 55 0 0 0 0 0 0 0 0999 V2000 6.9357 -1.2457 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1745 -0.0691 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 -0.4679 1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 -1.4384 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 -0.8501 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 0.3935 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 0.8593 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 2.1121 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 2.5826 -1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 1.5556 -2.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 1.1845 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.1531 -1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 -0.2649 -0.8929 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -1.3987 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 -1.0453 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3362 -1.4302 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1923 -1.1920 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1235 0.2407 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8445 0.4747 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8219 1.4558 -1.7143 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 -0.8178 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 -1.7616 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2624 -1.9485 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 0.4865 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9271 0.6107 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7753 0.4161 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 -1.0126 2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4741 -1.7503 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6871 -2.3447 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 -1.5822 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0507 -0.5346 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 0.1916 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.2186 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 1.0610 -1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 0.0695 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 1.9486 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 2.9065 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 3.5452 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 2.7953 -2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.9957 -3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.6637 -2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 0.8423 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 2.1081 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -0.6938 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 0.5904 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -1.6231 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -2.2775 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 0.0665 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 -1.5365 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3639 -2.5279 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7503 -0.8454 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2471 -1.3738 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -1.8392 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9408 0.3638 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2405 0.9799 0.6188 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 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 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 M END