@MOLECULE (2s)-2-[(9z)-9-octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate 134 133 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -4.3795 0.5925 -1.4191 N.4 1 UNL1 0.0976 2 P -1.1703 -1.7128 -0.8319 P.3 1 UNL1 0.1025 3 C -0.8576 -4.2264 -1.7142 C.3 1 UNL1 -0.0732 4 C 0.3258 -4.9422 -1.0356 C.3 1 UNL1 0.0527 5 C -0.0404 -5.7540 0.2139 C.3 1 UNL1 -0.0489 6 C 12.0982 -0.5893 1.5606 C.2 1 UNL1 -0.1687 7 C -9.9193 2.9843 1.1349 C.3 1 UNL1 -0.2735 8 C -3.4395 -1.6563 -2.3276 C.3 1 UNL1 0.0193 9 O -1.4736 -3.3091 -0.8121 O.3 1 UNL1 -0.2604 10 C 12.2420 0.4234 0.4709 C.3 1 UNL1 -0.2780 11 C -11.2707 3.2907 0.4767 C.3 1 UNL1 -0.2731 12 C -4.5051 -0.9221 -1.4528 C.3 1 UNL1 -0.2477 13 O -2.1423 -1.2103 -2.0936 O.3 1 UNL1 -0.3970 14 C 12.7517 1.7474 1.0630 C.3 1 UNL1 -0.2627 15 C -11.6796 4.7493 0.7161 C.3 1 UNL1 -0.2725 16 C -3.6479 1.1391 -2.6088 C.3 1 UNL1 -0.3498 17 O -1.8356 -1.2451 0.4130 O.3 1 UNL1 -0.4072 18 C 12.9966 2.7809 -0.0424 C.3 1 UNL1 -0.2725 19 C -12.9924 5.0654 -0.0123 C.3 1 UNL1 -0.2742 20 C -5.7683 1.1809 -1.4104 C.3 1 UNL1 -0.3713 21 O 0.1517 -1.2850 -1.3191 O.2 1 UNL1 -0.2870 22 C 13.5007 4.1006 0.5559 C.3 1 UNL1 -0.2714 23 C -13.4760 6.4810 0.3262 C.3 1 UNL1 -0.2718 24 C -3.6834 1.0484 -0.1695 C.3 1 UNL1 -0.3608 25 C 13.8207 5.1115 -0.5524 C.3 1 UNL1 -0.2746 26 C -14.7204 6.8409 -0.4967 C.3 1 UNL1 -0.2508 27 C 14.2946 6.4417 0.0468 C.3 1 UNL1 -0.2727 28 C -15.2529 8.2192 -0.1052 C.3 1 UNL1 -0.4392 29 C 14.6988 7.4240 -1.0607 C.3 1 UNL1 -0.2512 30 C 15.1591 8.7562 -0.4686 C.3 1 UNL1 -0.4400 31 C 1.9984 -3.3206 -1.4910 C.2 1 UNL1 0.6464 32 O 1.2677 -3.9838 -0.5593 O.3 1 UNL1 -0.3944 33 C 2.7743 -2.2239 -0.8261 C.3 1 UNL1 -0.3384 34 O 2.0349 -3.6626 -2.6477 O.2 1 UNL1 -0.5580 35 C 4.2573 -2.6001 -0.7904 C.3 1 UNL1 -0.2560 36 C 5.0705 -1.5196 -0.0670 C.3 1 UNL1 -0.2654 37 C 6.5360 -1.9528 0.0644 C.3 1 UNL1 -0.2726 38 C 7.3519 -0.9028 0.8291 C.3 1 UNL1 -0.2766 39 C 8.7860 -1.3967 1.0525 C.3 1 UNL1 -0.2640 40 C 9.6058 -0.3635 1.8421 C.3 1 UNL1 -0.2805 41 C 10.9524 -0.9287 2.1580 C.2 1 UNL1 -0.1626 42 C -2.1451 -4.9578 0.9686 C.2 1 UNL1 0.6524 43 O -0.8004 -4.9983 1.1435 O.3 1 UNL1 -0.3839 44 C -2.7506 -4.0002 1.9490 C.3 1 UNL1 -0.3525 45 O -2.7206 -5.6663 0.1769 O.2 1 UNL1 -0.5705 46 C -4.2073 -3.7234 1.5678 C.3 1 UNL1 -0.2419 47 C -4.6737 -2.3792 2.1390 C.3 1 UNL1 -0.2740 48 C -6.1094 -2.0819 1.6894 C.3 1 UNL1 -0.2762 49 C -6.5200 -0.6497 2.0521 C.3 1 UNL1 -0.2783 50 C -7.8760 -0.3055 1.4254 C.3 1 UNL1 -0.2818 51 C -8.2270 1.1724 1.6338 C.3 1 UNL1 -0.2776 52 C -9.5560 1.5065 0.9454 C.3 1 UNL1 -0.2749 53 H 10.9407 -1.6847 2.9445 H 1 UNL1 0.1393 54 H -0.5294 -3.8061 -2.6877 H 1 UNL1 0.1506 55 H -1.6899 -4.9438 -1.8997 H 1 UNL1 0.1421 56 H 0.8364 -5.6031 -1.7788 H 1 UNL1 0.1384 57 H -0.5735 -6.6825 -0.0602 H 1 UNL1 0.1404 58 H 0.8655 -5.9888 0.8096 H 1 UNL1 0.1510 59 H -9.1326 3.6308 0.7056 H 1 UNL1 0.1315 60 H -9.9591 3.2298 2.2131 H 1 UNL1 0.1412 61 H 13.0385 -1.0521 1.8618 H 1 UNL1 0.1387 62 H -3.5886 -2.7513 -2.1835 H 1 UNL1 0.1441 63 H -3.5934 -1.4317 -3.4048 H 1 UNL1 0.1101 64 H 12.9473 0.0546 -0.3010 H 1 UNL1 0.1419 65 H 11.2862 0.5884 -0.0643 H 1 UNL1 0.1466 66 H -11.2188 3.0845 -0.6083 H 1 UNL1 0.1341 67 H -12.0486 2.6128 0.8774 H 1 UNL1 0.1400 68 H -4.4168 -1.3087 -0.4046 H 1 UNL1 0.2052 69 H -5.5100 -1.2039 -1.8211 H 1 UNL1 0.1414 70 H 2.6038 -1.2788 -1.3884 H 1 UNL1 0.1866 71 H 12.0180 2.1347 1.7947 H 1 UNL1 0.1400 72 H 2.3803 -2.0272 0.1961 H 1 UNL1 0.1879 73 H 13.6826 1.5717 1.6335 H 1 UNL1 0.1374 74 H -2.6639 -4.3917 2.9789 H 1 UNL1 0.1610 75 H -11.7907 4.9382 1.8003 H 1 UNL1 0.1395 76 H -2.1536 -3.0503 1.9450 H 1 UNL1 0.2224 77 H -10.8820 5.4321 0.3696 H 1 UNL1 0.1346 78 H -4.0944 0.7905 -3.5515 H 1 UNL1 0.1665 79 H -3.6310 2.2379 -2.5993 H 1 UNL1 0.1559 80 H -2.5804 0.7918 -2.6095 H 1 UNL1 0.2450 81 H 4.3874 -3.5752 -0.2822 H 1 UNL1 0.1390 82 H 13.7316 2.3897 -0.7704 H 1 UNL1 0.1363 83 H 4.6371 -2.7405 -1.8218 H 1 UNL1 0.1469 84 H 12.0658 2.9551 -0.6138 H 1 UNL1 0.1371 85 H -4.3028 -3.7168 0.4611 H 1 UNL1 0.1544 86 H -12.8519 4.9621 -1.1042 H 1 UNL1 0.1352 87 H -4.8572 -4.5467 1.9152 H 1 UNL1 0.1359 88 H -13.7683 4.3271 0.2650 H 1 UNL1 0.1381 89 H -6.3492 0.8026 -0.5469 H 1 UNL1 0.1867 90 H -5.7399 2.2796 -1.3341 H 1 UNL1 0.1691 91 H -6.3173 0.9220 -2.3299 H 1 UNL1 0.1699 92 H 5.0023 -0.5612 -0.6139 H 1 UNL1 0.1373 93 H 12.7426 4.5182 1.2441 H 1 UNL1 0.1368 94 H 4.6407 -1.3290 0.9350 H 1 UNL1 0.1400 95 H 14.4015 3.9183 1.1713 H 1 UNL1 0.1361 96 H -4.6095 -2.3860 3.2418 H 1 UNL1 0.1381 97 H -13.7020 6.5555 1.4063 H 1 UNL1 0.1380 98 H -3.9808 -1.5791 1.8043 H 1 UNL1 0.1553 99 H -12.6724 7.2155 0.1345 H 1 UNL1 0.1360 100 H -2.6173 0.6925 -0.1503 H 1 UNL1 0.2594 101 H -3.6683 2.1416 -0.0867 H 1 UNL1 0.1552 102 H -4.1424 0.6115 0.7337 H 1 UNL1 0.1779 103 H 6.5949 -2.9272 0.5852 H 1 UNL1 0.1362 104 H 14.5966 4.7009 -1.2250 H 1 UNL1 0.1360 105 H 6.9755 -2.1185 -0.9367 H 1 UNL1 0.1362 106 H 12.9284 5.2776 -1.1840 H 1 UNL1 0.1363 107 H -6.2086 -2.2456 0.6007 H 1 UNL1 0.1270 108 H -14.4776 6.8214 -1.5758 H 1 UNL1 0.1330 109 H -6.8062 -2.8034 2.1568 H 1 UNL1 0.1404 110 H -15.5068 6.0767 -0.3493 H 1 UNL1 0.1346 111 H 7.3593 0.0526 0.2733 H 1 UNL1 0.1354 112 H 13.4953 6.8825 0.6707 H 1 UNL1 0.1363 113 H 6.8714 -0.6844 1.8012 H 1 UNL1 0.1364 114 H 15.1487 6.2693 0.7274 H 1 UNL1 0.1364 115 H -6.5723 -0.5403 3.1524 H 1 UNL1 0.1448 116 H -16.1156 8.5002 -0.7192 H 1 UNL1 0.1415 117 H -5.7482 0.0689 1.7240 H 1 UNL1 0.1223 118 H -15.5724 8.2417 0.9426 H 1 UNL1 0.1432 119 H -14.4908 8.9960 -0.2356 H 1 UNL1 0.1425 120 H 8.7748 -2.3616 1.5934 H 1 UNL1 0.1380 121 H 15.5061 6.9861 -1.6775 H 1 UNL1 0.1334 122 H 9.2773 -1.6005 0.0827 H 1 UNL1 0.1396 123 H 13.8479 7.5898 -1.7479 H 1 UNL1 0.1335 124 H -7.8791 -0.5511 0.3481 H 1 UNL1 0.1249 125 H -8.6645 -0.9439 1.8706 H 1 UNL1 0.1463 126 H 9.6775 0.5820 1.2700 H 1 UNL1 0.1453 127 H 14.3630 9.2305 0.1162 H 1 UNL1 0.1420 128 H 9.0786 -0.0958 2.7805 H 1 UNL1 0.1431 129 H 16.0207 8.6230 0.1950 H 1 UNL1 0.1422 130 H 15.4543 9.4594 -1.2548 H 1 UNL1 0.1395 131 H -8.2963 1.3941 2.7165 H 1 UNL1 0.1455 132 H -7.4232 1.8241 1.2494 H 1 UNL1 0.1232 133 H -10.3613 0.8666 1.3559 H 1 UNL1 0.1431 134 H -9.5019 1.2656 -0.1317 H 1 UNL1 0.1298 @BOND 1 78 16 1 2 63 8 1 3 54 3 1 4 34 31 2 5 80 16 1 6 16 79 1 7 16 1 1 8 91 20 1 9 8 62 1 10 8 13 1 11 8 12 1 12 13 2 1 13 55 3 1 14 83 35 1 15 69 12 1 16 56 4 1 17 123 29 1 18 3 4 1 19 3 9 1 20 121 29 1 21 108 26 1 22 31 33 1 23 31 32 1 24 12 1 1 25 12 68 1 26 1 20 1 27 1 24 1 28 20 90 1 29 20 89 1 30 70 33 1 31 21 2 2 32 130 30 1 33 104 25 1 34 106 25 1 35 86 19 1 36 29 30 1 37 29 27 1 38 4 32 1 39 4 5 1 40 105 37 1 41 2 9 1 42 2 17 1 43 33 35 1 44 33 72 1 45 35 81 1 46 35 36 1 47 82 18 1 48 116 28 1 49 92 36 1 50 84 18 1 51 66 11 1 52 25 27 1 53 25 22 1 54 26 110 1 55 26 28 1 56 26 23 1 57 30 127 1 58 30 129 1 59 64 10 1 60 119 28 1 61 24 100 1 62 24 101 1 63 24 102 1 64 134 52 1 65 28 118 1 66 36 37 1 67 36 94 1 68 65 10 1 69 57 5 1 70 18 22 1 71 18 14 1 72 19 88 1 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