HMDB0040705 RDKit 3D Allixin 34 34 0 0 0 0 0 0 0 0999 V2000 -4.1007 1.2179 0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -0.2720 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 -0.5882 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.0730 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.6946 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -0.2800 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 -1.0695 -0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -0.7928 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 -1.7282 -1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 0.4095 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 0.7534 -0.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0859 0.4013 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 1.3054 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3704 2.3979 0.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 0.9271 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2823 1.7459 1.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 1.8084 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1739 1.5112 1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 1.5260 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0793 -0.6804 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 -0.8068 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -0.0851 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -1.6608 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9494 1.0108 -0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.5425 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 -0.5478 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -1.7950 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -1.1910 -2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 -2.6724 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -2.0371 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 0.3116 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8229 1.2318 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -0.5530 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 1.5119 1.2867 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 8 10 2 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 6 2 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 16 34 1 0 M END