HMDB0029909 RDKit 3D Gein 62 64 0 0 0 0 0 0 0 0999 V2000 -6.6175 0.3963 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 0.0522 1.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -0.4126 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 -0.4041 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 -1.5100 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -1.5275 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 -0.4219 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 -0.3465 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -1.3785 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -1.0610 0.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -0.8471 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 0.6440 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 1.0254 -0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 0.7573 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 -0.0697 -0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 -0.6416 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 0.3604 1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 0.9238 0.5216 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 1.5046 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 2.5392 2.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 1.9738 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 2.9374 1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 -1.6960 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 -2.5635 -0.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -2.5740 -1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -2.9865 -2.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 -1.7961 -1.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -0.7645 -2.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 0.7119 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 1.8405 -1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 2.9879 -1.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 0.7056 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5988 0.3410 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8235 0.7295 3.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6322 0.1047 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8742 0.2326 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -1.4326 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 -2.3949 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2033 -2.4540 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 -2.2539 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -1.0737 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9072 0.9411 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 1.1712 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 0.2260 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 -1.3839 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -1.2138 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 -0.1477 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 1.8472 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 1.1012 2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1558 2.1731 2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 2.3654 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 3.2199 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 -1.0397 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -2.5322 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 -3.4383 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.5099 -3.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 -2.5036 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 -0.0139 -2.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 3.3046 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 2.8401 -2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 3.8595 -1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 1.5757 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 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 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 11 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 7 29 1 0 29 30 1 0 30 31 1 0 29 32 2 0 32 4 1 0 27 9 1 0 21 14 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 5 38 1 0 6 39 1 0 9 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 14 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 31 59 1 0 31 60 1 0 31 61 1 0 32 62 1 0 M END