HMDB0001931 RDKit 3D gamma-CEHC 39 40 0 0 0 0 0 0 0 0999 V2000 -4.7350 0.6744 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 0.1293 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3239 -1.1088 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 -1.7691 0.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 -1.6644 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.9819 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 0.2395 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 0.8034 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 2.1323 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 0.9398 -0.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 0.2263 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -0.7026 -1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 1.2304 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 0.8451 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 0.3292 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 0.4359 1.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7837 -0.3317 0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 -0.6406 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -1.6046 1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4126 -0.1692 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6704 1.4000 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 1.1458 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4664 -2.6688 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 -2.6417 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 2.0934 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 2.8136 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 2.5399 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -1.2829 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -1.4133 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -0.1198 -2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4017 2.0807 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 1.8007 -1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 1.8052 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 0.1922 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -1.0702 -0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -1.3053 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 -0.0156 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.5577 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -1.8087 2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 11 18 1 0 18 19 1 0 8 2 1 0 19 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 M END