HMDB0007804 RDKit 3D DG(24:0/20:1(11Z)/0:0) 142141 0 0 0 0 0 0 0 0999 V2000 19.9946 -0.5534 -1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9925 0.8451 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5385 1.1383 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4134 2.4965 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0987 2.9541 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9644 3.1290 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4106 1.9846 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9305 0.8780 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3930 -0.2536 -0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1679 -0.7395 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1443 -0.1729 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5977 -1.1686 1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9705 -2.3607 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8279 -1.9605 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7294 -1.2635 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6241 -0.8747 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0344 -2.0712 -1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -1.7089 -2.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -0.9993 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1079 -1.7449 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -2.9653 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 -1.1866 0.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -1.9091 1.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9260 -1.4084 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -2.2129 3.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.9148 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.6908 1.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 0.3645 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 0.2563 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 1.6149 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0798 1.4841 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 0.4794 1.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 0.9038 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3159 -0.0491 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 -0.1522 1.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 1.1239 2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 1.8179 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 0.9831 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8118 1.8259 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0888 1.0800 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8074 0.7606 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1306 0.0393 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0814 0.8577 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3887 0.1558 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3046 -1.1653 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6710 -1.7837 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6065 -0.9122 -1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9880 -1.5461 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8750 -0.6359 -2.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0513 0.7326 -1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6507 0.6718 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0130 0.0311 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0643 -0.7269 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9922 -1.2578 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8748 -0.7648 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2271 1.5798 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6163 0.9721 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2200 0.3896 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9655 0.9336 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9138 3.2786 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1313 2.5084 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 3.9499 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7587 2.2946 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1250 4.0069 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0949 3.5190 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4288 2.3737 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9458 1.6017 -1.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 1.3149 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8490 0.4945 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0715 -0.7837 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8745 -1.6035 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2423 0.1687 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4541 0.7021 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8707 -0.6597 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3994 -1.5670 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 -3.0084 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7066 -2.9540 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 -2.9286 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 -1.3478 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1849 -0.3126 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -1.8549 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -0.2890 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 -0.2373 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 -2.5820 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -2.8488 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -1.0435 -3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5192 -2.6709 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 -0.7373 -2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1029 -0.0199 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 -2.9569 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 -1.5449 2.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.3730 2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 -2.4713 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 -2.5756 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -2.3942 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 1.9348 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 2.4734 0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 2.4694 2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4106 1.2909 2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 0.4166 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -0.5231 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 1.9577 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 0.8536 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9397 0.2639 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -1.0491 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 -0.8192 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5499 -0.6688 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2044 0.8656 3.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 1.8458 2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 2.0793 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9858 2.7245 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3986 0.8115 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 0.0842 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3422 2.0297 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9934 2.8157 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7434 1.6687 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 0.1389 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2310 0.1259 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0521 1.7031 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5318 -0.1907 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9751 -0.9315 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6737 1.0534 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2039 1.8710 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0292 0.8580 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8935 -0.0246 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6143 -1.8718 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9123 -0.9562 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5551 -2.7942 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0569 -1.9526 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2132 -0.7585 -2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7504 0.0804 -0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8643 -2.4754 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3951 -1.8316 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3980 -0.4720 -3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8522 -1.1072 -2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1514 1.3395 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7995 1.3218 -2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7752 1.7378 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9435 0.1468 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.7653 0.6676 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.3941 -0.0122 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.9462 -0.9685 0.1412 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 2 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 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 23 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 1 0 36 37 1 0 37 38 1 0 38 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 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 52142 1 0 M END