HMDB0011368 RDKit 3D PE(P-18:0/14:0) 120119 0 0 0 0 0 0 0 0999 V2000 15.4440 -0.9697 3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -1.2285 3.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0756 -0.1896 3.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9530 -0.2577 1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9690 0.7543 1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5729 0.5771 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0768 -0.7658 1.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6666 -1.0806 2.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6768 -0.0739 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 -0.0579 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 0.9437 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 0.6024 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.6127 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 1.6264 -2.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 0.3249 -2.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 -0.2051 -2.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.6928 -3.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 1.1392 -2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 0.8833 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -0.2580 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -0.6262 -1.3195 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2954 -1.1543 -2.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.7248 -3.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -2.3521 -4.7187 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2027 -3.5191 -4.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -2.9499 -4.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4479 -1.1371 -5.8571 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 -0.6555 -5.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 0.4051 -7.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0637 1.5684 -6.8243 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4231 0.3534 -1.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 0.1230 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 -0.9889 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 1.1918 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9321 0.5889 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4414 -0.4396 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7287 -1.0371 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7894 0.0214 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0780 -0.6268 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9742 -1.3105 1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6161 -0.4137 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6372 0.6841 2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0160 0.1438 3.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1575 -0.6996 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8175 0.0534 5.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7967 1.2146 5.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6234 0.1344 3.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1982 -1.3777 4.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5320 -1.4721 2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7551 -2.2078 3.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1761 -1.1428 5.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1157 -0.4471 3.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3985 0.8409 3.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9357 -0.0024 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6575 -1.2670 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9069 0.6190 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3367 1.7955 1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 0.6834 3.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9607 1.4171 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 -0.9719 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7202 -1.5261 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -2.0677 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5303 -1.1161 3.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 0.9277 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6766 -0.4548 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 0.0805 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4078 -1.0787 -0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 1.9368 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 1.0981 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 -0.4124 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 0.7185 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 2.6262 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 1.2974 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 2.3411 -2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3889 2.0568 -2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -0.4918 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 0.4162 -3.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -0.2627 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -1.1839 -3.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8557 1.0133 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 1.8113 -3.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -0.0715 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -1.1745 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 -1.5488 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -0.3153 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 -1.9682 -2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -2.2357 -4.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 -1.4194 -6.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -0.1712 -4.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -0.0447 -8.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9443 0.7128 -7.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0469 1.3785 -6.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 2.1503 -6.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2795 1.9485 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7798 1.6703 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 0.0992 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6769 1.4126 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5895 0.0037 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7538 -1.2918 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5027 -1.4793 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -1.8542 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9598 0.5220 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4633 0.7777 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9518 0.0516 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2804 -1.4274 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9456 -1.8393 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2262 -2.1195 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6488 0.0813 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4558 -1.0267 3.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6168 1.3377 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3266 1.2689 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6910 1.0157 3.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4095 -0.4439 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2273 -0.9772 4.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5868 -1.6501 4.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9540 -0.6696 6.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7964 0.4262 5.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6169 1.1079 4.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2861 2.1628 5.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2642 1.1476 6.6475 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 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 20 82 1 0 20 83 1 0 21 84 1 1 22 85 1 0 22 86 1 0 26 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 M END