HMDB0093379 RDKit 3D DG(14:0/a-17:0/0:0) 105104 0 0 0 0 0 0 0 0999 V2000 -14.4077 1.4915 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9276 1.3445 -1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4583 -0.0607 -1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7395 -0.6359 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1122 0.1119 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5595 0.1302 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0506 0.8823 2.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6422 1.1771 2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5935 0.1776 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3664 -0.7526 1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 0.0043 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8349 -1.0213 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7276 -1.9732 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -1.3123 -0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 -0.0698 -0.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 -2.0300 -0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -1.5243 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -0.8453 -1.4751 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7371 -1.6977 -2.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -2.8083 -2.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1674 -0.3485 -1.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 0.9900 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 1.8362 -1.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 1.3861 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 0.2054 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9561 0.6798 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 1.4772 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 2.0850 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 1.3284 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3202 0.6223 -1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 -0.0651 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6577 -1.0836 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9954 -1.7921 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 -0.8175 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4127 -1.5757 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5284 -0.6283 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 0.0393 2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7116 0.3947 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8549 1.3519 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6634 1.5963 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9829 0.6800 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7046 2.4361 -1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6617 1.6265 -2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4211 2.0709 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3970 -0.1620 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0241 -0.6911 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3301 -1.6733 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8206 -0.6675 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3818 -0.3765 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5020 1.1369 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4126 0.6054 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3210 -0.9250 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5964 1.8929 2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5113 0.4325 3.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2493 1.9192 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5854 1.8590 3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6101 0.7551 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6260 -0.3705 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2058 -1.4098 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4534 -1.4064 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9530 0.6002 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1887 0.6526 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7635 -1.6461 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7301 -0.5253 -2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9292 -2.6702 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 -2.6175 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -2.3923 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -0.8355 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 0.0646 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.0569 -3.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8001 -2.0506 -2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -3.5322 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 1.9786 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 2.0524 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -0.4394 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 -0.3845 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.2708 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 1.1811 -2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 0.9028 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 2.3453 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 2.8167 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 2.8335 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 0.6330 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 2.0893 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 1.3343 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6173 -0.1371 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4157 0.7655 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9920 -0.5397 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 -0.6476 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 -1.8754 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9037 -2.5677 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 -2.3013 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9008 -0.3208 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1883 -0.1086 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6386 -2.1743 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3379 -2.2944 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5020 -1.1650 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 0.8852 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0555 0.3643 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6109 -0.6964 2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7990 1.0506 -0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9700 -0.0909 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5584 2.0222 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0694 1.9775 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7940 0.7886 0.5137 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 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 36 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 17 67 1 0 17 68 1 0 18 69 1 6 19 70 1 0 19 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 0 25 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 28 81 1 0 28 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 39105 1 0 M END