HMDB0056356 RDKit 3D DG(22:4n6/0:0/20:5n3) 120119 0 0 0 0 0 0 0 0999 V2000 15.4984 -3.9220 1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8388 -2.5641 1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3731 -2.1425 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8323 -1.9034 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4234 -2.0029 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 -2.4757 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -1.7946 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2401 -0.4044 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3725 0.4948 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 1.2642 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 1.4146 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9276 2.8512 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 3.4763 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 2.9474 -1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5233 1.5374 -2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6038 0.7284 -2.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 0.9610 -2.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 2.2714 -2.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 2.0873 -3.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 1.3049 -1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 1.0244 -0.8568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 0.8210 -1.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5659 0.0799 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -0.2657 -1.4273 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2937 -1.0517 -2.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 0.9830 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 1.9137 -0.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 1.5870 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 0.4476 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 2.6107 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7486 2.1860 2.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 1.8134 1.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8361 2.9354 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2634 2.5911 0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0695 2.3260 2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 1.2037 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6482 0.0032 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0749 -1.1430 2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6662 -2.2757 2.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 -2.5301 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0314 -3.6961 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4135 -3.7240 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9616 -2.5183 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3144 -2.8612 -1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4426 -2.2152 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4584 -1.0757 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9685 0.1946 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3350 0.5418 -0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2280 -0.1665 -1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6980 -1.4996 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3816 -4.5992 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5778 -3.7205 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9973 -4.4018 2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2944 -1.8091 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8028 -2.6204 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 -1.9958 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5543 -1.5750 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3948 -2.7300 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1104 -1.0521 -1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6014 -3.5323 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8780 -2.2177 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8688 -0.0163 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 -0.3782 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 0.5079 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6435 1.8970 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8013 0.7015 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3771 1.2338 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0752 3.4924 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6085 4.6027 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3633 3.3876 -2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 3.5175 -2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5668 1.0754 -2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -0.3627 -2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1006 0.6249 -3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 0.1333 -2.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9671 2.8948 -3.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 2.8110 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 3.1039 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 1.5772 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -0.9085 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 0.5951 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -0.7958 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -1.8439 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 0.6533 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 1.4331 -2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 3.5194 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 2.9099 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 1.2502 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 2.9122 3.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 0.9118 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 1.5229 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 3.8428 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 3.1440 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3313 1.8759 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6652 3.5638 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1405 3.1869 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2461 1.1754 3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9497 0.1877 0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6327 -0.1148 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0482 -1.0166 2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1165 -3.0581 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5632 -1.6434 1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6333 -2.8170 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6338 -4.6430 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3495 -4.6635 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3541 -2.4196 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9253 -1.6026 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4503 -3.7096 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3518 -2.6257 -1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4602 -0.8812 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1439 -1.3507 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5585 1.0381 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2944 0.4154 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2978 1.6431 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9325 0.7849 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7096 -0.2624 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1431 0.4377 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8250 -1.4804 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5629 -2.2781 -2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2703 -1.8077 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 1 25 83 1 0 26 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END