@MOLECULE (2r)-3-(dodecanoyloxy)-2-(pentacosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate 145 144 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -8.6045 -5.0880 0.2815 O.2 1 UNL1 -0.2542 2 P -7.7962 -4.4286 1.3220 P.3 1 UNL1 0.1230 3 O -6.8194 -4.9769 2.2696 O.3 1 UNL1 -0.3015 4 O -9.0358 -3.6446 2.1126 O.3 1 UNL1 -0.3881 5 C -8.8883 -2.6457 3.0682 C.3 1 UNL1 0.0160 6 C -8.9875 -1.2367 2.3925 C.3 1 UNL1 -0.2397 7 N -10.1102 -1.1150 1.3765 N.4 1 UNL1 0.0949 8 C -11.3156 -1.9143 1.7761 C.3 1 UNL1 -0.3496 9 C -10.5087 0.3371 1.3037 C.3 1 UNL1 -0.3678 10 C -9.6706 -1.5467 0.0062 C.3 1 UNL1 -0.3533 11 O -7.2247 -3.0678 0.5732 O.3 1 UNL1 -0.4145 12 C -5.9018 -2.5838 0.6748 C.3 1 UNL1 -0.0095 13 C -5.3079 -2.6907 -0.7519 C.3 1 UNL1 0.0756 14 C -6.2472 -2.1352 -1.8216 C.3 1 UNL1 -0.0495 15 O -6.6874 -0.8258 -1.4493 O.3 1 UNL1 -0.4470 16 C -5.8722 0.2198 -1.7097 C.2 1 UNL1 0.6311 17 O -4.8750 0.1535 -2.3790 O.2 1 UNL1 -0.5167 18 C -6.4249 1.4580 -1.0538 C.3 1 UNL1 -0.3566 19 C -7.8754 1.6899 -1.4828 C.3 1 UNL1 -0.2572 20 C -8.5118 2.8258 -0.6748 C.3 1 UNL1 -0.2756 21 C -9.9899 2.9812 -1.0534 C.3 1 UNL1 -0.2764 22 C -10.7273 3.8716 -0.0470 C.3 1 UNL1 -0.2794 23 C -12.2139 3.9716 -0.4095 C.3 1 UNL1 -0.2717 24 C -12.9574 4.8840 0.5744 C.3 1 UNL1 -0.2738 25 C -14.4343 5.0048 0.1800 C.3 1 UNL1 -0.2759 26 C -15.1904 5.9131 1.1572 C.3 1 UNL1 -0.2723 27 C -16.6659 6.0314 0.7510 C.3 1 UNL1 -0.2502 28 C -17.4227 6.9564 1.7033 C.3 1 UNL1 -0.4387 29 O -4.1475 -1.8568 -0.6792 O.3 1 UNL1 -0.4679 30 C -3.2362 -1.9658 -1.6829 C.2 1 UNL1 0.6425 31 O -3.3254 -2.8006 -2.5452 O.2 1 UNL1 -0.5210 32 C -2.1678 -0.9327 -1.4994 C.3 1 UNL1 -0.3523 33 C -0.7972 -1.5641 -1.7559 C.3 1 UNL1 -0.2546 34 C 0.3215 -0.5335 -1.5673 C.3 1 UNL1 -0.2696 35 C 1.6925 -1.2075 -1.7082 C.3 1 UNL1 -0.2686 36 C 2.8254 -0.2071 -1.4471 C.3 1 UNL1 -0.2768 37 C 4.1830 -0.9211 -1.4536 C.3 1 UNL1 -0.2727 38 C 5.3195 0.0594 -1.1375 C.3 1 UNL1 -0.2738 39 C 6.6626 -0.6790 -1.0731 C.3 1 UNL1 -0.2722 40 C 7.8074 0.2931 -0.7614 C.3 1 UNL1 -0.2730 41 C 9.1488 -0.4501 -0.7235 C.3 1 UNL1 -0.2723 42 C 10.3020 0.5193 -0.4353 C.3 1 UNL1 -0.2729 43 C 11.6429 -0.2258 -0.4204 C.3 1 UNL1 -0.2725 44 C 12.7979 0.7386 -0.1227 C.3 1 UNL1 -0.2728 45 C 14.1393 -0.0057 -0.1222 C.3 1 UNL1 -0.2725 46 C 15.2922 0.9571 0.1879 C.3 1 UNL1 -0.2729 47 C 16.6376 0.2203 0.1698 C.3 1 UNL1 -0.2725 48 C 17.7828 1.1846 0.5033 C.3 1 UNL1 -0.2729 49 C 19.1343 0.4595 0.4794 C.3 1 UNL1 -0.2726 50 C 20.2717 1.4313 0.8191 C.3 1 UNL1 -0.2719 51 C 21.6268 0.7126 0.8115 C.3 1 UNL1 -0.2722 52 C 22.7602 1.6951 1.1337 C.3 1 UNL1 -0.2747 53 C 24.1182 0.9824 1.1185 C.3 1 UNL1 -0.2722 54 C 25.2513 1.9640 1.4466 C.3 1 UNL1 -0.2511 55 C 26.6116 1.2696 1.3773 C.3 1 UNL1 -0.4399 56 H -9.7359 -2.8051 3.7674 H 1 UNL1 0.1071 57 H -7.9498 -2.6761 3.6635 H 1 UNL1 0.1411 58 H -9.1176 -0.4742 3.1822 H 1 UNL1 0.1376 59 H -8.0213 -1.0315 1.8722 H 1 UNL1 0.1909 60 H -11.6366 -1.6758 2.8001 H 1 UNL1 0.1628 61 H -12.1535 -1.7469 1.0831 H 1 UNL1 0.1605 62 H -11.0813 -3.0105 1.7477 H 1 UNL1 0.2372 63 H -9.6544 0.9591 0.9746 H 1 UNL1 0.1859 64 H -11.3287 0.4950 0.5831 H 1 UNL1 0.1712 65 H -10.8508 0.7108 2.2817 H 1 UNL1 0.1670 66 H -9.6635 -2.6627 -0.0791 H 1 UNL1 0.2460 67 H -10.3295 -1.1545 -0.7766 H 1 UNL1 0.1496 68 H -8.6200 -1.2498 -0.2027 H 1 UNL1 0.2144 69 H -5.2376 -3.0893 1.4040 H 1 UNL1 0.1450 70 H -6.0063 -1.5213 0.9736 H 1 UNL1 0.0992 71 H -5.0060 -3.7351 -0.9978 H 1 UNL1 0.1679 72 H -5.7755 -2.1085 -2.8207 H 1 UNL1 0.1572 73 H -7.2007 -2.7024 -1.8543 H 1 UNL1 0.1726 74 H -6.3466 1.3503 0.0474 H 1 UNL1 0.1685 75 H -5.7910 2.3297 -1.3217 H 1 UNL1 0.1751 76 H -7.9172 1.9245 -2.5656 H 1 UNL1 0.1519 77 H -8.4633 0.7582 -1.3604 H 1 UNL1 0.1463 78 H -8.4038 2.6374 0.4087 H 1 UNL1 0.1276 79 H -7.9744 3.7761 -0.8605 H 1 UNL1 0.1468 80 H -10.0718 3.4144 -2.0702 H 1 UNL1 0.1477 81 H -10.4817 1.9940 -1.1185 H 1 UNL1 0.1262 82 H -10.6116 3.4783 0.9784 H 1 UNL1 0.1252 83 H -10.2736 4.8814 -0.0329 H 1 UNL1 0.1453 84 H -12.3247 4.3618 -1.4400 H 1 UNL1 0.1435 85 H -12.6756 2.9676 -0.4167 H 1 UNL1 0.1280 86 H -12.8687 4.4909 1.6035 H 1 UNL1 0.1328 87 H -12.4874 5.8860 0.5913 H 1 UNL1 0.1412 88 H -14.5186 5.4057 -0.8481 H 1 UNL1 0.1402 89 H -14.9042 4.0042 0.1541 H 1 UNL1 0.1342 90 H -15.1116 5.5171 2.1861 H 1 UNL1 0.1349 91 H -14.7246 6.9160 1.1824 H 1 UNL1 0.1394 92 H -16.7434 6.4118 -0.2853 H 1 UNL1 0.1357 93 H -17.1378 5.0309 0.7420 H 1 UNL1 0.1329 94 H -18.4790 7.0369 1.4222 H 1 UNL1 0.1431 95 H -17.3839 6.5895 2.7349 H 1 UNL1 0.1423 96 H -17.0031 7.9687 1.6968 H 1 UNL1 0.1439 97 H -2.2160 -0.4779 -0.4894 H 1 UNL1 0.1699 98 H -2.3662 -0.0986 -2.2113 H 1 UNL1 0.1875 99 H -0.7630 -1.9876 -2.7810 H 1 UNL1 0.1578 100 H -0.6433 -2.4234 -1.0735 H 1 UNL1 0.1465 101 H 0.2361 -0.0557 -0.5735 H 1 UNL1 0.1346 102 H 0.2193 0.2821 -2.3066 H 1 UNL1 0.1372 103 H 1.7989 -1.6453 -2.7184 H 1 UNL1 0.1390 104 H 1.7694 -2.0552 -1.0006 H 1 UNL1 0.1387 105 H 2.6698 0.2983 -0.4760 H 1 UNL1 0.1348 106 H 2.8112 0.5924 -2.2101 H 1 UNL1 0.1351 107 H 4.3556 -1.3974 -2.4368 H 1 UNL1 0.1373 108 H 4.1795 -1.7443 -0.7142 H 1 UNL1 0.1376 109 H 5.1231 0.5723 -0.1779 H 1 UNL1 0.1355 110 H 5.3586 0.8548 -1.9043 H 1 UNL1 0.1356 111 H 6.8556 -1.1960 -2.0316 H 1 UNL1 0.1370 112 H 6.6212 -1.4726 -0.3037 H 1 UNL1 0.1368 113 H 7.6252 0.7972 0.2057 H 1 UNL1 0.1357 114 H 7.8400 1.0963 -1.5208 H 1 UNL1 0.1360 115 H 9.3216 -0.9676 -1.6854 H 1 UNL1 0.1367 116 H 9.1201 -1.2435 0.0465 H 1 UNL1 0.1366 117 H 10.1384 1.0251 0.5344 H 1 UNL1 0.1360 118 H 10.3230 1.3210 -1.1967 H 1 UNL1 0.1361 119 H 11.8086 -0.7265 -1.3925 H 1 UNL1 0.1366 120 H 11.6190 -1.0325 0.3358 H 1 UNL1 0.1365 121 H 12.6373 1.2308 0.8546 H 1 UNL1 0.1361 122 H 12.8162 1.5513 -0.8723 H 1 UNL1 0.1361 123 H 14.3036 -0.4909 -1.1023 H 1 UNL1 0.1365 124 H 14.1186 -0.8238 0.6217 H 1 UNL1 0.1365 125 H 15.1336 1.4314 1.1743 H 1 UNL1 0.1361 126 H 15.3038 1.7832 -0.5474 H 1 UNL1 0.1361 127 H 16.8049 -0.2395 -0.8218 H 1 UNL1 0.1364 128 H 16.6225 -0.6157 0.8935 H 1 UNL1 0.1365 129 H 17.6158 1.6394 1.4976 H 1 UNL1 0.1362 130 H 17.7916 2.0239 -0.2170 H 1 UNL1 0.1362 131 H 19.3052 0.0080 -0.5155 H 1 UNL1 0.1365 132 H 19.1268 -0.3813 1.1974 H 1 UNL1 0.1365 133 H 20.0937 1.8901 1.8096 H 1 UNL1 0.1361 134 H 20.2831 2.2673 0.0950 H 1 UNL1 0.1362 135 H 21.8017 0.2427 -0.1741 H 1 UNL1 0.1365 136 H 21.6217 -0.1145 1.5454 H 1 UNL1 0.1364 137 H 22.5880 2.1613 2.1215 H 1 UNL1 0.1361 138 H 22.7606 2.5247 0.4022 H 1 UNL1 0.1362 139 H 24.2930 0.5206 0.1291 H 1 UNL1 0.1366 140 H 24.1188 0.1494 1.8456 H 1 UNL1 0.1363 141 H 25.0975 2.3950 2.4539 H 1 UNL1 0.1333 142 H 25.2277 2.8183 0.7440 H 1 UNL1 0.1335 143 H 27.4241 1.9626 1.6213 H 1 UNL1 0.1397 144 H 26.6702 0.4323 2.0814 H 1 UNL1 0.1423 145 H 26.8075 0.8724 0.3751 H 1 UNL1 0.1423 @BOND 1 72 14 1 2 99 33 1 3 103 35 1 4 76 19 1 5 31 30 2 6 107 37 1 7 17 16 2 8 102 34 1 9 98 32 1 10 106 36 1 11 80 21 1 12 111 39 1 13 110 38 1 14 73 14 1 15 14 15 1 16 14 13 1 17 33 34 1 18 33 32 1 19 33 100 1 20 16 15 1 21 16 18 1 22 35 34 1 23 35 36 1 24 35 104 1 25 115 41 1 26 30 32 1 27 30 29 1 28 34 101 1 29 114 40 1 30 32 97 1 31 19 77 1 32 19 18 1 33 19 20 1 34 37 36 1 35 37 38 1 36 37 108 1 37 36 105 1 38 84 23 1 39 119 43 1 40 75 18 1 41 118 42 1 42 38 39 1 43 38 109 1 44 81 21 1 45 123 45 1 46 39 40 1 47 39 112 1 48 18 74 1 49 21 20 1 50 21 22 1 51 71 13 1 52 122 44 1 53 79 20 1 54 88 25 1 55 127 47 1 56 67 10 1 57 40 41 1 58 40 113 1 59 13 29 1 60 13 12 1 61 41 42 1 62 41 116 1 63 20 78 1 64 126 46 1 65 131 49 1 66 42 43 1 67 42 117 1 68 43 44 1 69 43 120 1 70 85 23 1 71 23 22 1 72 23 24 1 73 92 27 1 74 130 48 1 75 68 10 1 76 135 51 1 77 44 45 1 78 44 121 1 79 45 46 1 80 45 124 1 81 66 10 1 82 22 83 1 83 22 82 1 84 10 7 1 85 134 50 1 86 139 53 1 87 89 25 1 88 47 46 1 89 47 48 1 90 47 128 1 91 25 24 1 92 25 26 1 93 46 125 1 94 1 2 2 95 145 55 1 96 138 52 1 97 49 48 1 98 49 50 1 99 49 132 1 100 48 129 1 101 11 12 1 102 11 2 1 103 24 87 1 104 24 86 1 105 64 9 1 106 12 70 1 107 12 69 1 108 93 27 1 109 142 54 1 110 27 26 1 111 27 28 1 112 51 50 1 113 51 52 1 114 51 136 1 115 50 133 1 116 63 9 1 117 61 8 1 118 53 52 1 119 53 54 1 120 53 140 1 121 52 137 1 122 26 91 1 123 26 90 1 124 9 7 1 125 9 65 1 126 2 4 1 127 2 3 1 128 7 8 1 129 7 6 1 130 55 54 1 131 55 143 1 132 55 144 1 133 94 28 1 134 54 141 1 135 96 28 1 136 28 95 1 137 62 8 1 138 8 60 1 139 59 6 1 140 4 5 1 141 6 5 1 142 6 58 1 143 5 57 1 144 5 56 1