HMDB0095418 RDKit 3D TG(12:0/15:0/16:0) 140139 0 0 0 0 0 0 0 0999 V2000 -9.3868 -4.3595 4.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7786 -3.0008 3.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3680 -2.8816 2.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8536 -3.0457 2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4342 -2.9270 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -3.0705 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5406 -2.9436 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 -1.6134 -1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 -0.4930 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 0.8389 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4172 1.1133 -2.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 1.1220 -3.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 2.1880 -2.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 2.2397 -2.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 0.9995 -2.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 1.2891 -2.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 2.4360 -3.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.3704 -2.8147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 0.5856 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 1.6537 -2.2721 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6401 2.1654 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 3.2604 -2.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 3.6278 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.7694 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 4.9466 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4997 5.3389 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3586 5.6972 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 4.7663 1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 5.4496 2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 4.5279 2.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 5.1796 3.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 4.2821 4.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 3.9018 2.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 3.0109 3.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 2.6482 1.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 1.1736 -0.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 1.3906 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 2.1470 -0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9439 0.7176 1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 0.7419 2.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 0.1057 3.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -1.3078 3.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 -2.3013 3.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -3.6717 3.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 -4.8026 2.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 -4.7975 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -4.8496 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -4.8706 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -4.9341 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -4.9775 -3.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -3.7776 -3.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 -3.9011 -5.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1561 -4.7408 4.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3729 -4.3476 4.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4045 -5.0619 3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8616 -2.8381 3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2062 -2.2207 4.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6914 -1.8617 1.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8991 -3.6806 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 -2.3088 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6243 -4.0650 2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9403 -3.7584 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -1.9700 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -4.1025 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 -2.3808 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4519 -3.0317 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0211 -3.7605 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 -1.5580 -2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0601 -1.4866 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 -0.6359 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6705 -0.5531 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8437 0.8661 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3658 1.6288 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8814 0.3031 -3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8341 2.1080 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4694 0.1344 -2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 1.4082 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 3.1607 -2.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 1.9663 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 3.1037 -2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 2.5869 -3.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 0.1617 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 0.7467 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 1.0914 -4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -0.3088 -3.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.4475 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 1.3039 -3.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 2.4520 -3.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3205 4.8468 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 5.7393 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 4.5952 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 6.2639 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 5.9665 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 6.6857 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 3.8553 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 4.5179 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 5.7335 3.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 6.3245 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 4.0803 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 3.6803 3.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 5.4331 4.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6403 6.1211 3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 3.3408 4.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 4.8010 4.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 4.8046 2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2266 3.3325 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 3.4392 3.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 2.0584 3.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 2.1818 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2679 3.5229 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 1.8810 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 -0.3594 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8707 1.1365 1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 0.1008 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 1.7371 2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 0.1961 4.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 0.6837 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 -1.5628 4.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 -1.3908 2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -2.1151 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 -2.2609 3.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -3.6485 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -3.8144 4.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -4.8702 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -5.7451 2.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 -3.9586 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -5.7206 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -5.7826 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 -4.0050 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -5.7527 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -3.9723 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4864 -4.1110 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -5.9006 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -5.0568 -4.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 -5.9334 -3.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -3.7636 -3.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -2.8518 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -3.0369 -5.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -4.8534 -5.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.8426 -5.9299 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 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 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 2 0 23 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 20 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 19 84 1 0 19 85 1 0 20 86 1 1 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 M END