HMDB0011205 RDKit 3D PC(P-16:0/15:0) 126125 0 0 0 0 0 0 0 0999 V2000 -0.9590 -3.0762 -2.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 -3.5759 -4.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -3.4390 -4.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -4.0852 -4.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 -3.5977 -2.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -4.2933 -2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -4.2767 -2.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 -3.0053 -3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -2.2547 -1.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 -3.0882 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 -2.3378 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 -1.2185 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -0.4743 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 0.3236 2.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 1.4619 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 1.6913 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 0.9761 -0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 1.0019 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6317 2.2577 -1.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3514 3.2899 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 3.6117 0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 4.7464 1.4674 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3534 5.8951 0.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 5.2632 2.3734 O 0 0 0 0 0 1 0 0 0 0 0 0 1.8854 4.0054 2.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 4.5922 3.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 3.8950 4.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 2.4625 4.7007 N 0 0 0 0 0 4 0 0 0 0 0 0 2.6536 2.2201 4.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.7787 3.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.9861 5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 2.0340 -2.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 2.4286 -3.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 2.9799 -3.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0673 2.3477 -4.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 1.4856 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 1.7440 -2.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9696 0.6713 -2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.7211 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 -0.4180 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9902 -0.5522 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5764 -0.7874 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8758 -0.9415 1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 -1.1692 2.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7850 -1.3743 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7255 -0.2018 3.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9394 -0.5254 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9552 0.6059 4.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -2.2181 -2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 -2.6528 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 -3.8683 -2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0499 -4.6580 -4.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 -3.0245 -4.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 -3.9033 -5.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -2.3538 -5.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -5.2002 -4.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -4.0063 -4.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -3.8729 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -2.4904 -2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 -3.9501 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -5.3672 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -4.7646 -3.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3466 -4.9984 -2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -2.3285 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 -3.2391 -3.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 -1.8801 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1854 -1.3534 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 -4.0473 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 -3.3979 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5486 -3.0895 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2426 -1.9410 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 -1.6286 0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 -0.5252 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 0.2491 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 -1.1907 2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 0.7508 3.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0472 -0.2449 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 2.2619 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 2.6738 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5633 0.7827 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 0.1082 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 2.6706 -2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 2.9552 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 4.2330 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 4.5166 4.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 5.6736 3.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 4.3045 5.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 3.9993 4.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 2.8523 5.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 1.1504 5.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0507 2.3456 3.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 0.9363 3.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 2.4427 2.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.4281 2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8355 0.9095 6.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 2.6261 6.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 2.1895 5.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 2.0684 -5.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 3.3987 -4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.3949 -4.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 1.5054 -4.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 1.7149 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3479 2.7475 -2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4896 0.8542 -3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 -0.3360 -3.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 0.7038 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5235 1.6565 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3466 -1.3692 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -0.1917 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 -1.3757 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6363 0.3730 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 -1.6312 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 0.1365 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4037 0.0408 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4735 -1.7749 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 -0.3316 3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9504 -2.0999 2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3405 -2.2797 3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4576 -1.5181 4.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1318 -0.0482 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3238 0.7462 3.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3707 -1.4829 3.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6286 -0.6569 5.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5499 0.5673 3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5704 0.5066 5.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4557 1.5968 4.3131 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 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 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 18 80 1 0 18 81 1 0 19 82 1 6 20 83 1 0 20 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 31 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 M CHG 2 24 -1 28 1 M END