HMDB0055978 RDKit 3D DG(14:0/0:0/20:5n3) 104103 0 0 0 0 0 0 0 0999 V2000 -14.6068 1.4368 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3476 0.1521 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3112 0.3851 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1557 -0.2409 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7538 -1.2803 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5766 -1.1310 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7599 -0.1088 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7774 1.1567 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 1.6484 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7197 1.0771 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -0.2702 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0378 -1.0480 -2.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8734 -1.4861 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 -1.2806 -1.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -0.5812 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 0.4916 -2.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 1.3817 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 1.2126 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 0.1664 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.4974 1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 1.6293 1.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 -0.3702 1.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -0.1702 1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 0.9742 1.0137 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1386 0.6540 -0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 1.6334 1.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4745 0.9654 1.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 -0.1735 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 -0.8049 2.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2845 -0.7214 1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 -2.0536 2.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 -2.7785 2.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -2.2239 2.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3405 -0.8776 2.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7264 -0.6104 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8103 -1.5528 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1943 -1.2839 -0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7416 0.1443 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 0.3468 -2.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6433 1.6838 -2.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8615 2.1759 -1.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7841 2.3611 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8476 1.6103 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5867 1.3569 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5805 2.2512 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2996 -0.7138 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3320 0.0303 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5026 1.1670 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4507 0.0300 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6593 -1.6065 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6097 -2.2522 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 -1.9920 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8926 -0.2181 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8205 1.4876 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6897 1.9271 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9324 2.7300 -1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 1.7133 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0849 -0.8802 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 -0.2978 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9401 -1.2114 -3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6784 -2.0657 -3.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 -2.3441 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 -0.9749 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 -1.0675 -3.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 0.8230 -3.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 1.6007 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 2.4696 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 2.2002 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8611 1.2526 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 -0.8552 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 0.2206 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -0.0449 2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 -1.1520 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 1.8084 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -0.2371 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 2.6164 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 1.9698 2.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9747 0.0534 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -0.7760 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 -2.7125 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 -2.0165 3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -2.8475 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 -3.8699 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 -2.9368 2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 -2.3174 3.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3703 -0.8526 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8453 -0.0190 3.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8814 -0.6908 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1107 0.4483 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6679 -1.4148 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4304 -2.5947 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3813 -1.4207 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9897 -2.0130 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 0.1556 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9723 0.8748 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8415 -0.4761 -2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1871 0.1914 -2.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 2.4421 -2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8035 1.7379 -3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7431 1.5230 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1290 3.1761 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 2.4693 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3773 1.6169 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2705 3.3609 -0.1928 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 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 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 0 23 73 1 0 24 74 1 6 25 75 1 0 26 76 1 0 26 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END