HMDB0007124 RDKit 3D DG(16:1(9Z)/14:0/0:0) 100 99 0 0 0 0 0 0 0 0999 V2000 -14.1041 -0.4051 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4931 0.3763 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0717 -0.2531 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3677 0.4301 1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0588 -0.0268 1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8768 -0.1006 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9713 -1.0800 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1268 -2.0895 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0224 -2.3345 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7436 -2.2664 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5003 -2.4959 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 -1.5006 1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 -1.7358 2.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -1.6088 1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 -0.2520 0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -0.1601 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 -1.1208 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 1.0116 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 1.2641 -1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 1.1404 -0.8714 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0100 2.0757 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 3.3905 -0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 1.4301 -1.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 0.5356 -1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -0.6228 -1.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 0.8577 -2.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3454 2.2808 -3.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 3.3555 -2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4183 3.5344 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7002 2.4928 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 3.0286 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2272 2.1322 1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 0.8429 1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -0.2612 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -1.4471 0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -2.6388 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 -3.7441 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 -3.2620 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1877 -0.1955 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9026 -1.4883 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6512 -0.0531 -2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0324 0.1272 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4067 1.4384 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6043 0.0577 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2403 -1.3243 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3923 1.5722 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0674 0.3534 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7552 0.5450 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1992 -1.0744 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9804 -0.1774 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8103 0.9316 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7641 -0.9718 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2658 -2.7908 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 -3.4139 0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9323 -1.7291 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 -1.3083 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 -3.0758 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.3853 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5111 -3.5372 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -0.4544 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -1.5780 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9604 -0.9698 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 -2.7285 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -2.4083 0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -1.7415 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 0.5307 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 0.0469 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 2.2769 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 0.5449 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 0.1015 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 2.0201 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 1.7477 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 4.0154 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 0.1786 -3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 0.5205 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 2.4255 -4.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 2.4015 -3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 4.3342 -2.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 3.4057 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4197 3.8167 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1691 4.4770 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 1.5359 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 2.3419 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3847 3.9979 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6614 3.4127 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3693 2.0343 2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9652 2.7454 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 0.4151 2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9588 0.9731 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2226 -0.1581 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3109 -0.6578 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3902 -1.5912 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 -1.0768 0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 -2.9904 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7347 -2.4150 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5129 -4.6616 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9509 -3.8541 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7255 -2.7696 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9304 -2.5973 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6857 -4.1506 -0.6141 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 2 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 20 23 1 0 23 24 1 0 24 25 2 0 24 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 35 36 1 0 36 37 1 0 37 38 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 9 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 19 68 1 0 19 69 1 0 20 70 1 1 21 71 1 0 21 72 1 0 22 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 38100 1 0 M END