HMDB0092926 RDKit 3D DG(8:0/0:0/i-16:0) 84 83 0 0 0 0 0 0 0 0999 V2000 -8.8018 -1.8955 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1384 -2.9547 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3699 -2.5882 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0992 -1.9286 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6429 -0.5881 1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 0.4345 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6198 0.6213 1.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5992 1.6218 1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 2.1414 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 1.9611 2.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 2.8820 2.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 2.4032 1.1796 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7051 3.3180 0.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 1.0634 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 0.6138 0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 0.3702 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 0.5707 -1.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 -0.1192 -1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 1.0574 -2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 1.8042 -1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 0.9094 -0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 0.3771 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 -0.5115 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -1.0855 -2.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5971 -0.0309 -2.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3199 0.8285 -1.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2343 -0.0432 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 0.7903 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8521 0.0120 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2795 -1.0781 1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 -0.5258 2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 -2.3122 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9132 -1.8145 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2885 -0.9246 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7958 -2.1856 -2.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4067 -3.4949 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8688 -3.7832 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -3.4940 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5217 -1.8869 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9954 -2.5826 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4519 -1.9132 2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4131 -0.5619 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1577 -0.1367 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0768 1.3947 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9502 0.1209 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1708 0.9727 2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1487 -0.3684 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 3.0377 3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0963 3.8318 1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 2.3374 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 3.9422 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 0.3180 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 1.2295 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0751 -0.8529 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 -0.6439 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9027 1.7406 -2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 0.7457 -3.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 2.7121 -1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 2.1055 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 1.5174 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 0.0650 -0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3359 1.2568 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -0.2080 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -1.3914 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 0.0112 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 -1.8926 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -1.5889 -2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 0.6244 -3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 -0.5297 -3.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6305 1.4221 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 1.5243 -2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 -0.7902 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 -0.5280 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6033 1.5021 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2609 1.4788 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 -0.3590 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3647 0.7215 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1107 -1.3702 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 0.2679 3.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 -0.1971 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 -1.3499 3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -3.2002 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -2.4165 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -2.5342 1.1937 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 11 48 1 0 11 49 1 0 12 50 1 6 13 51 1 0 14 52 1 0 14 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 25 68 1 0 25 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 31 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 32 84 1 0 M END