@MOLECULE 3-(phosphonooxy)-1,2-propanediyl didecanoate 76 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9992 2.3393 -2.6438 O.3 1 UNL1 -0.1485 2 O -1.1270 1.6002 -2.9507 O.2 1 UNL1 -0.0950 3 P -0.1135 1.7241 -1.8643 P.3 1 UNL1 0.3268 4 O 0.2671 0.3332 -1.2185 O.3 1 UNL1 -0.3689 5 O -0.7710 2.5747 -0.6803 O.3 1 UNL1 -0.3106 6 C -0.0221 3.3563 0.2533 C.3 1 UNL1 -0.0474 7 C 0.5464 2.5458 1.4300 C.3 1 UNL1 0.0508 8 C -0.4881 1.7727 2.2557 C.3 1 UNL1 -0.0524 9 O -1.3639 1.0317 1.4236 O.3 1 UNL1 -0.4280 10 C -2.5211 1.6461 1.0324 C.2 1 UNL1 0.6401 11 O -2.8173 2.7442 1.4261 O.2 1 UNL1 -0.5266 12 C -3.3105 0.7268 0.1562 C.3 1 UNL1 -0.3436 13 C -4.6177 0.3566 0.8659 C.3 1 UNL1 -0.2603 14 C -5.4915 -0.5126 -0.0461 C.3 1 UNL1 -0.2677 15 C -6.7748 -0.9303 0.6825 C.3 1 UNL1 -0.2718 16 C -7.6674 -1.7776 -0.2328 C.3 1 UNL1 -0.2745 17 C -8.9243 -2.2399 0.5153 C.3 1 UNL1 -0.2755 18 C -9.8195 -3.0874 -0.3973 C.3 1 UNL1 -0.2724 19 C -11.0592 -3.5787 0.3624 C.3 1 UNL1 -0.2510 20 C -11.9439 -4.4417 -0.5373 C.3 1 UNL1 -0.4396 21 O 1.4139 1.5210 0.9445 O.3 1 UNL1 -0.4646 22 C 2.6675 1.8815 0.5407 C.2 1 UNL1 0.6303 23 O 3.0792 3.0006 0.6927 O.2 1 UNL1 -0.5119 24 C 3.3516 0.6944 -0.0547 C.3 1 UNL1 -0.3466 25 C 4.7788 0.5913 0.4905 C.3 1 UNL1 -0.2589 26 C 5.4917 -0.6232 -0.1145 C.3 1 UNL1 -0.2699 27 C 6.9428 -0.6966 0.3762 C.3 1 UNL1 -0.2709 28 C 7.6258 -1.9658 -0.1488 C.3 1 UNL1 -0.2747 29 C 9.0885 -2.0232 0.3091 C.3 1 UNL1 -0.2753 30 C 9.7472 -3.3327 -0.1423 C.3 1 UNL1 -0.2726 31 C 11.2014 -3.4048 0.3421 C.3 1 UNL1 -0.2508 32 C 11.8420 -4.7354 -0.0527 C.3 1 UNL1 -0.4396 33 H 0.1773 0.4103 -0.1899 H 1 UNL1 0.3551 34 H -0.8403 4.0330 0.6098 H 1 UNL1 0.1689 35 H 0.7736 3.9783 -0.2089 H 1 UNL1 0.1521 36 H 1.1346 3.2264 2.0959 H 1 UNL1 0.1522 37 H -1.0550 2.4519 2.9212 H 1 UNL1 0.1542 38 H -0.0040 0.9764 2.8577 H 1 UNL1 0.1549 39 H -2.7345 -0.1856 -0.1087 H 1 UNL1 0.1813 40 H -3.5224 1.2431 -0.8086 H 1 UNL1 0.1919 41 H -4.4023 -0.1786 1.8104 H 1 UNL1 0.1410 42 H -5.1661 1.2760 1.1562 H 1 UNL1 0.1536 43 H -4.9310 -1.4097 -0.3708 H 1 UNL1 0.1397 44 H -5.7438 0.0407 -0.9708 H 1 UNL1 0.1422 45 H -7.3275 -0.0347 1.0237 H 1 UNL1 0.1390 46 H -6.5242 -1.4994 1.5974 H 1 UNL1 0.1365 47 H -7.1059 -2.6540 -0.6064 H 1 UNL1 0.1364 48 H -7.9530 -1.1960 -1.1292 H 1 UNL1 0.1376 49 H -9.4867 -1.3640 0.8895 H 1 UNL1 0.1372 50 H -8.6384 -2.8230 1.4105 H 1 UNL1 0.1362 51 H -9.2523 -3.9513 -0.7909 H 1 UNL1 0.1365 52 H -10.1265 -2.4995 -1.2821 H 1 UNL1 0.1370 53 H -11.6361 -2.7155 0.7441 H 1 UNL1 0.1339 54 H -10.7516 -4.1556 1.2550 H 1 UNL1 0.1334 55 H -11.4019 -5.3175 -0.9111 H 1 UNL1 0.1424 56 H -12.8244 -4.8061 0.0032 H 1 UNL1 0.1404 57 H -12.3004 -3.8787 -1.4071 H 1 UNL1 0.1427 58 H 2.7814 -0.2411 0.1322 H 1 UNL1 0.1806 59 H 3.3638 0.8057 -1.1652 H 1 UNL1 0.1958 60 H 5.3385 1.5216 0.2615 H 1 UNL1 0.1567 61 H 4.7667 0.5151 1.5946 H 1 UNL1 0.1413 62 H 4.9543 -1.5528 0.1531 H 1 UNL1 0.1383 63 H 5.4704 -0.5685 -1.2199 H 1 UNL1 0.1420 64 H 7.5015 0.1995 0.0463 H 1 UNL1 0.1396 65 H 6.9737 -0.6821 1.4818 H 1 UNL1 0.1370 66 H 7.0829 -2.8617 0.2065 H 1 UNL1 0.1360 67 H 7.5742 -1.9985 -1.2531 H 1 UNL1 0.1375 68 H 9.6470 -1.1587 -0.0953 H 1 UNL1 0.1375 69 H 9.1452 -1.9334 1.4100 H 1 UNL1 0.1367 70 H 9.1776 -4.1969 0.2473 H 1 UNL1 0.1364 71 H 9.7102 -3.4182 -1.2441 H 1 UNL1 0.1369 72 H 11.7831 -2.5639 -0.0802 H 1 UNL1 0.1341 73 H 11.2404 -3.2789 1.4407 H 1 UNL1 0.1337 74 H 11.8512 -4.8687 -1.1403 H 1 UNL1 0.1426 75 H 12.8790 -4.7957 0.2955 H 1 UNL1 0.1406 76 H 11.2999 -5.5844 0.3787 H 1 UNL1 0.1422 @BOND 1 2 3 2 2 1 3 1 3 3 4 1 4 3 5 1 5 57 20 1 6 52 18 1 7 67 28 1 8 71 30 1 9 63 26 1 10 4 33 1 11 59 24 1 12 74 32 1 13 48 16 1 14 44 14 1 15 55 20 1 16 40 12 1 17 51 18 1 18 5 6 1 19 47 16 1 20 20 56 1 21 20 19 1 22 18 19 1 23 18 17 1 24 43 14 1 25 16 17 1 26 16 15 1 27 35 6 1 28 28 66 1 29 28 29 1 30 28 27 1 31 30 70 1 32 30 29 1 33 30 31 1 34 26 62 1 35 26 27 1 36 26 25 1 37 39 12 1 38 68 29 1 39 72 31 1 40 24 58 1 41 24 25 1 42 24 22 1 43 32 75 1 44 32 31 1 45 32 76 1 46 14 15 1 47 14 13 1 48 64 27 1 49 12 13 1 50 12 10 1 51 6 34 1 52 6 7 1 53 60 25 1 54 29 69 1 55 31 73 1 56 19 53 1 57 19 54 1 58 27 65 1 59 25 61 1 60 17 49 1 61 17 50 1 62 22 23 2 63 22 21 1 64 15 45 1 65 15 46 1 66 13 42 1 67 13 41 1 68 21 7 1 69 10 9 1 70 10 11 2 71 9 8 1 72 7 36 1 73 7 8 1 74 8 38 1 75 8 37 1