HMDB0056171 RDKit 3D DG(16:1n7/0:0/18:3n3) 106105 0 0 0 0 0 0 0 0999 V2000 -13.3252 0.9108 -2.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2511 1.5353 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1606 2.0079 -2.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9429 1.5397 -1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4818 0.5243 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 1.0628 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4751 1.1736 1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5928 0.7903 2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4499 -0.2388 3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4410 -0.9751 3.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0872 -0.9761 2.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 -0.6069 3.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 -0.6070 3.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0926 0.3061 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 0.2814 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5475 -1.0260 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -1.6576 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2302 -0.9079 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 0.2100 -1.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 -1.4551 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -0.8137 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 0.4927 -1.0657 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4163 1.0270 -1.9006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 0.2402 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -0.7029 0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 -1.1745 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -0.7174 2.2385 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -2.1525 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 -2.4619 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -1.1816 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 -1.4000 -2.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 -2.3365 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -2.2875 -2.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3744 -1.4019 -2.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 -0.0597 -1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 1.0117 -2.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 0.7989 -2.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 0.8544 -0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2979 2.1748 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.2455 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9996 1.1931 1.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 1.3235 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8988 0.0891 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7152 1.6746 -2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1953 0.5749 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9918 0.9175 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7430 2.4590 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3176 2.7583 -2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1593 1.9316 -2.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9566 -0.2628 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2475 0.0015 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4671 1.4178 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 1.6287 1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4632 0.4971 1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0410 1.7430 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3834 -0.4308 3.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5826 -1.7096 4.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0215 -0.6042 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8911 -2.1272 2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2549 0.4521 4.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 -1.2722 4.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 -0.4905 4.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 -1.7016 3.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 0.3400 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 1.3676 2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 0.9712 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5993 0.7316 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2741 -1.7612 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9684 -0.8343 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -2.6388 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -1.9281 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -1.4528 -1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4106 -0.5622 -2.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 1.1515 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 0.3758 -2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.1349 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 1.2084 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.1435 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 -1.8235 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 -2.8509 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -3.2065 -0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -0.3795 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -0.8432 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 -0.4177 -3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -1.7877 -3.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -2.6546 -4.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 -3.3539 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 -3.2654 -2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -1.6784 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 0.2685 -1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 0.0814 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4968 2.0103 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 0.9971 -3.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 1.5746 -3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6198 -0.1935 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 0.6909 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1764 0.0085 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 2.9646 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 2.4501 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7736 2.1394 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3544 3.2413 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2427 0.1873 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 1.3185 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8760 0.3773 3.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 1.5781 4.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1828 2.1140 3.4904 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 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 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 21 72 1 0 21 73 1 0 22 74 1 1 23 75 1 0 24 76 1 0 24 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 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 M END