HMDB0093144 RDKit 3D DG(a-13:0/0:0/8:0) 75 74 0 0 0 0 0 0 0 0999 V2000 9.6361 2.0286 1.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 0.5917 2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6940 -0.3825 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3623 -0.5502 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 0.6291 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 0.3471 -0.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 -0.7122 -1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -1.0071 -2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9093 -0.3933 -3.4533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 -1.9635 -1.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2332 -2.4417 -2.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 -1.3909 -2.2702 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3713 -0.3279 -3.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -0.7705 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 0.0486 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -0.5062 -1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -1.7525 -1.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 0.3022 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 1.0013 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 1.7849 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 0.8767 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4126 -0.1337 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4634 -1.1455 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8929 -0.8437 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4936 -0.0822 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0135 0.0106 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6119 -1.3541 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2678 0.8723 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6844 2.2646 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6845 2.3952 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6916 2.1766 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4726 2.6284 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8869 0.4475 2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1335 0.3027 3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0829 -1.3869 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4423 -0.1334 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -0.9539 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 -1.4434 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4615 1.0920 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 1.4301 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 0.0766 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0552 1.2755 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 -1.6522 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -0.3185 -2.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9186 -3.2517 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -2.9486 -3.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.8505 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 0.5427 -2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -1.6180 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.2114 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -0.3457 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 1.1030 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 1.7514 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 0.3714 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 2.4925 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2686 2.3632 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 0.4969 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 1.6164 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3287 0.3715 2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -0.7044 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 -1.8227 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 -1.9172 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1835 -0.4382 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 -1.8556 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1887 0.9459 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3446 -0.6325 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4033 0.5579 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5890 -1.4072 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7354 -1.6742 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9679 -2.1202 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3826 0.9802 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8693 0.5048 2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3735 2.9821 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 2.3155 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6431 2.4668 0.0349 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 26 28 1 0 28 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 11 45 1 0 11 46 1 0 12 47 1 6 13 48 1 0 14 49 1 0 14 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END