@MOLECULE (2s)-3-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-({8-[(1r,2r)-2-hexylcyclopropyl]octanoyl}oxy)propyl palmitate 125 125 0 0 0 SMALL GASTEIGER @ATOM 1 C 19.5893 -2.2897 0.9449 C.3 1 UNL111111111 -0.4399 2 C 18.2435 -2.0491 1.6288 C.3 1 UNL111111111 -0.2510 3 C 17.1476 -1.7606 0.5942 C.3 1 UNL111111111 -0.2723 4 C 15.7950 -1.5371 1.2821 C.3 1 UNL111111111 -0.2746 5 C 14.7068 -1.2272 0.2466 C.3 1 UNL111111111 -0.2723 6 C 13.3427 -1.0553 0.9267 C.3 1 UNL111111111 -0.2716 7 C 12.2628 -0.7173 -0.1088 C.3 1 UNL111111111 -0.2728 8 C 10.8895 -0.5876 0.5618 C.3 1 UNL111111111 -0.2726 9 C 9.8268 -0.1655 -0.4606 C.3 1 UNL111111111 -0.2732 10 C 8.4496 -0.0540 0.2049 C.3 1 UNL111111111 -0.2735 11 C 7.4061 0.4653 -0.7921 C.3 1 UNL111111111 -0.2753 12 C 6.0300 0.5753 -0.1241 C.3 1 UNL111111111 -0.2703 13 C 5.0152 1.2199 -1.0767 C.3 1 UNL111111111 -0.2670 14 C 3.6432 1.3276 -0.4023 C.3 1 UNL111111111 -0.2549 15 C 2.6672 2.1029 -1.2903 C.3 1 UNL111111111 -0.3543 16 C 1.3082 2.1109 -0.6676 C.2 1 UNL111111111 0.6407 17 O 0.7665 1.2197 -0.0614 O.2 1 UNL111111111 -0.5507 18 O 0.7104 3.3107 -0.8866 O.3 1 UNL111111111 -0.4411 19 C -0.6606 3.4462 -0.5194 C.3 1 UNL111111111 -0.0388 20 C -1.5216 2.9529 -1.6846 C.3 1 UNL111111111 0.0548 21 O -1.7492 1.5505 -1.5012 O.3 1 UNL111111111 -0.4573 22 C -0.8749 0.6794 -2.0707 C.2 1 UNL111111111 0.6498 23 O -0.0315 1.0362 -2.8550 O.2 1 UNL111111111 -0.5524 24 C -1.1385 -0.7124 -1.5876 C.3 1 UNL111111111 -0.3497 25 C -2.5428 -1.1705 -1.9839 C.3 1 UNL111111111 -0.2616 26 C -2.8116 -2.5931 -1.4762 C.3 1 UNL111111111 -0.2634 27 C -4.2498 -3.0033 -1.8156 C.3 1 UNL111111111 -0.2788 28 C -4.6850 -4.2397 -1.0200 C.3 1 UNL111111111 -0.2708 29 C -6.1837 -4.4899 -1.2282 C.3 1 UNL111111111 -0.2716 30 C -6.6858 -5.6310 -0.3347 C.3 1 UNL111111111 -0.2646 31 C -8.1655 -5.8443 -0.5439 C.3 1 UNL111111111 -0.1555 32 C -9.2199 -5.0472 0.2133 C.3 1 UNL111111111 -0.1572 33 C -8.9879 -6.5085 0.5391 C.3 1 UNL111111111 -0.3557 34 C -8.8661 -3.9927 1.2338 C.3 1 UNL111111111 -0.2627 35 C -9.0290 -2.5824 0.6481 C.3 1 UNL111111111 -0.2728 36 C -8.7281 -1.5208 1.7125 C.3 1 UNL111111111 -0.2821 37 C -8.9159 -0.1070 1.1481 C.3 1 UNL111111111 -0.2722 38 C -8.4994 0.9494 2.1794 C.3 1 UNL111111111 -0.2682 39 C -8.4825 2.3468 1.5614 C.3 1 UNL111111111 -0.4416 40 C -2.9351 3.5665 -1.7207 C.3 1 UNL111111111 -0.0493 41 P -4.1696 4.0632 0.6257 P.3 1 UNL111111111 0.3348 42 O -5.4745 3.4607 -0.0806 O.3 1 UNL111111111 -0.4071 43 O -3.1328 4.3633 -0.5491 O.3 1 UNL111111111 -0.2837 44 O -4.2756 5.2578 1.4456 O.2 1 UNL111111111 -0.2072 45 O -3.6481 2.8404 1.4946 O.3 1 UNL111111111 -0.2128 46 C -3.6354 1.4687 1.0609 C.3 1 UNL111111111 -0.0897 47 C -4.9445 0.7798 1.4638 C.3 1 UNL111111111 0.0765 48 O -5.0225 0.6762 2.8764 O.3 1 UNL111111111 -0.5845 49 C -5.0062 -0.6752 0.9668 C.3 1 UNL111111111 -0.0258 50 O -5.8461 -0.7395 -0.1637 O.3 1 UNL111111111 -0.5704 51 H 19.5451 -3.1468 0.2639 H 1 UNL111111111 0.1422 52 H 20.3771 -2.4917 1.6787 H 1 UNL111111111 0.1399 53 H 19.9011 -1.4186 0.3580 H 1 UNL111111111 0.1422 54 H 17.9659 -2.9302 2.2374 H 1 UNL111111111 0.1336 55 H 18.3261 -1.2040 2.3380 H 1 UNL111111111 0.1335 56 H 17.0744 -2.6001 -0.1221 H 1 UNL111111111 0.1364 57 H 17.4198 -0.8733 -0.0072 H 1 UNL111111111 0.1364 58 H 15.8720 -0.7087 2.0104 H 1 UNL111111111 0.1363 59 H 15.5163 -2.4321 1.8685 H 1 UNL111111111 0.1364 60 H 14.6556 -2.0381 -0.5038 H 1 UNL111111111 0.1364 61 H 14.9692 -0.3111 -0.3147 H 1 UNL111111111 0.1364 62 H 13.3976 -0.2581 1.6912 H 1 UNL111111111 0.1364 63 H 13.0712 -1.9794 1.4702 H 1 UNL111111111 0.1364 64 H 12.5211 0.2230 -0.6307 H 1 UNL111111111 0.1365 65 H 12.2291 -1.4992 -0.8904 H 1 UNL111111111 0.1364 66 H 10.6054 -1.5477 1.0315 H 1 UNL111111111 0.1364 67 H 10.9365 0.1504 1.3843 H 1 UNL111111111 0.1366 68 H 9.7885 -0.8935 -1.2920 H 1 UNL111111111 0.1364 69 H 10.1068 0.8019 -0.9182 H 1 UNL111111111 0.1365 70 H 8.1399 -1.0385 0.6018 H 1 UNL111111111 0.1368 71 H 8.5050 0.6220 1.0789 H 1 UNL111111111 0.1369 72 H 7.3507 -0.2055 -1.6693 H 1 UNL111111111 0.1366 73 H 7.7184 1.4513 -1.1843 H 1 UNL111111111 0.1363 74 H 5.6791 -0.4264 0.1869 H 1 UNL111111111 0.1379 75 H 6.1072 1.1710 0.8050 H 1 UNL111111111 0.1375 76 H 4.9357 0.6257 -2.0065 H 1 UNL111111111 0.1400 77 H 5.3708 2.2215 -1.3836 H 1 UNL111111111 0.1379 78 H 3.7372 1.8239 0.5829 H 1 UNL111111111 0.1442 79 H 3.2399 0.3161 -0.1891 H 1 UNL111111111 0.1566 80 H 2.5780 1.6247 -2.2959 H 1 UNL111111111 0.1939 81 H 3.0324 3.1331 -1.4833 H 1 UNL111111111 0.1774 82 H -0.8677 2.9003 0.4209 H 1 UNL111111111 0.1704 83 H -0.7519 4.5386 -0.3533 H 1 UNL111111111 0.1701 84 H -0.9963 3.1179 -2.6567 H 1 UNL111111111 0.1626 85 H -1.0025 -0.7436 -0.4820 H 1 UNL111111111 0.1904 86 H -0.3676 -1.3963 -2.0039 H 1 UNL111111111 0.1766 87 H -3.3048 -0.4728 -1.5752 H 1 UNL111111111 0.1611 88 H -2.6642 -1.1324 -3.0831 H 1 UNL111111111 0.1421 89 H -2.6459 -2.6444 -0.3836 H 1 UNL111111111 0.1369 90 H -2.0954 -3.3061 -1.9226 H 1 UNL111111111 0.1328 91 H -4.9433 -2.1626 -1.5951 H 1 UNL111111111 0.1692 92 H -4.3482 -3.1924 -2.8988 H 1 UNL111111111 0.1301 93 H -4.0999 -5.1238 -1.3282 H 1 UNL111111111 0.1309 94 H -4.4751 -4.0919 0.0558 H 1 UNL111111111 0.1356 95 H -6.3880 -4.7168 -2.2901 H 1 UNL111111111 0.1352 96 H -6.7541 -3.5662 -1.0017 H 1 UNL111111111 0.1484 97 H -6.4573 -5.4107 0.7260 H 1 UNL111111111 0.1402 98 H -6.1406 -6.5677 -0.5660 H 1 UNL111111111 0.1405 99 H -8.3982 -6.0974 -1.5861 H 1 UNL111111111 0.1498 100 H -10.1331 -4.7947 -0.3407 H 1 UNL111111111 0.1500 101 H -8.5180 -6.7805 1.4786 H 1 UNL111111111 0.1571 102 H -9.7373 -7.2460 0.2737 H 1 UNL111111111 0.1533 103 H -7.8317 -4.1275 1.6060 H 1 UNL111111111 0.1445 104 H -9.5211 -4.1103 2.1212 H 1 UNL111111111 0.1427 105 H -8.3561 -2.4598 -0.2223 H 1 UNL111111111 0.1403 106 H -10.0551 -2.4488 0.2582 H 1 UNL111111111 0.1385 107 H -7.6977 -1.6496 2.0958 H 1 UNL111111111 0.1405 108 H -9.3880 -1.6639 2.5893 H 1 UNL111111111 0.1429 109 H -9.9709 0.0477 0.8531 H 1 UNL111111111 0.1401 110 H -8.3317 0.0204 0.2139 H 1 UNL111111111 0.1256 111 H -9.1888 0.9234 3.0441 H 1 UNL111111111 0.1355 112 H -7.4975 0.7094 2.5944 H 1 UNL111111111 0.1555 113 H -8.1720 3.0994 2.2966 H 1 UNL111111111 0.1480 114 H -9.4704 2.6347 1.1889 H 1 UNL111111111 0.1380 115 H -7.7779 2.4101 0.7224 H 1 UNL111111111 0.1469 116 H -3.6904 2.7804 -1.9284 H 1 UNL111111111 0.1570 117 H -3.0021 4.3346 -2.5250 H 1 UNL111111111 0.1390 118 H -6.0459 4.2262 -0.4365 H 1 UNL111111111 0.3229 119 H -3.3970 1.2953 -0.0067 H 1 UNL111111111 0.1618 120 H -2.7779 1.1006 1.6743 H 1 UNL111111111 0.1570 121 H -5.8437 1.3449 1.1156 H 1 UNL111111111 0.1552 122 H -4.8213 1.5420 3.2895 H 1 UNL111111111 0.3365 123 H -5.3756 -1.3504 1.7616 H 1 UNL111111111 0.1372 124 H -4.0402 -1.0560 0.5884 H 1 UNL111111111 0.1502 125 H -6.7865 -0.5827 0.0886 H 1 UNL111111111 0.3254 @BOND 1 1 2 1 2 1 51 1 3 1 52 1 4 1 53 1 5 2 3 1 6 2 54 1 7 2 55 1 8 3 4 1 9 3 56 1 10 3 57 1 11 4 5 1 12 4 58 1 13 4 59 1 14 5 6 1 15 5 60 1 16 5 61 1 17 6 7 1 18 6 62 1 19 6 63 1 20 7 8 1 21 7 64 1 22 7 65 1 23 8 9 1 24 8 66 1 25 8 67 1 26 9 10 1 27 9 68 1 28 9 69 1 29 10 11 1 30 10 70 1 31 10 71 1 32 11 12 1 33 11 72 1 34 11 73 1 35 12 13 1 36 12 74 1 37 12 75 1 38 13 14 1 39 13 76 1 40 13 77 1 41 14 15 1 42 14 78 1 43 14 79 1 44 15 16 1 45 15 80 1 46 15 81 1 47 16 17 2 48 16 18 1 49 18 19 1 50 19 20 1 51 19 82 1 52 19 83 1 53 20 21 1 54 20 40 1 55 20 84 1 56 21 22 1 57 22 23 2 58 22 24 1 59 24 25 1 60 24 85 1 61 24 86 1 62 25 26 1 63 25 87 1 64 25 88 1 65 26 27 1 66 26 89 1 67 26 90 1 68 27 28 1 69 27 91 1 70 27 92 1 71 28 29 1 72 28 93 1 73 28 94 1 74 29 30 1 75 29 95 1 76 29 96 1 77 30 31 1 78 30 97 1 79 30 98 1 80 31 32 1 81 31 33 1 82 31 99 1 83 32 33 1 84 32 34 1 85 32 100 1 86 33 101 1 87 33 102 1 88 34 35 1 89 34 103 1 90 34 104 1 91 35 36 1 92 35 105 1 93 35 106 1 94 36 37 1 95 36 107 1 96 36 108 1 97 37 38 1 98 37 109 1 99 37 110 1 100 38 39 1 101 38 111 1 102 38 112 1 103 39 113 1 104 39 114 1 105 39 115 1 106 40 43 1 107 40 116 1 108 40 117 1 109 41 42 1 110 41 43 1 111 41 44 2 112 41 45 1 113 42 118 1 114 45 46 1 115 46 47 1 116 46 119 1 117 46 120 1 118 47 48 1 119 47 49 1 120 47 121 1 121 48 122 1 122 49 50 1 123 49 123 1 124 49 124 1 125 50 125 1