@MOLECULE (2s)-3-{[(r)-[(2r)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6z)-6-hexadecenoyloxy]propyl (8e)-8-octadecenoate 126 125 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6346 -3.3452 1.0829 C.3 1 UNL1111111111 -0.0800 2 C 2.8649 -3.0883 0.1960 C.3 1 UNL1111111111 0.0855 3 O 2.6587 -3.5480 -1.1200 O.3 1 UNL1111111111 -0.5741 4 O -2.8309 -0.7768 -1.2617 O.3 1 UNL1111111111 -0.4395 5 C -2.2739 -1.4880 -2.3659 C.3 1 UNL1111111111 0.0449 6 C -1.4166 -0.4424 -3.0855 C.3 1 UNL1111111111 -0.0441 7 C -1.5082 -2.7171 -1.8465 C.3 1 UNL1111111111 -0.0410 8 O -0.3759 0.0555 -2.2590 O.3 1 UNL1111111111 -0.4271 9 O -0.4736 -2.3498 -0.9365 O.3 1 UNL1111111111 -0.3403 10 O -1.5575 -3.0860 1.3690 O.2 1 UNL1111111111 -0.2476 11 P -0.6875 -2.1716 0.6533 P.3 1 UNL1111111111 0.3009 12 O 0.8720 -2.1118 1.0250 O.3 1 UNL1111111111 -0.2332 13 O -1.0465 -0.6329 0.8503 O.3 1 UNL1111111111 -0.3060 14 C -3.9831 -1.2671 -0.7212 C.2 1 UNL1111111111 0.6289 15 O -4.5771 -2.1831 -1.2274 O.2 1 UNL1111111111 -0.5213 16 C 0.8114 -0.6126 -2.2663 C.2 1 UNL1111111111 0.6411 17 O 1.0042 -1.5805 -2.9571 O.2 1 UNL1111111111 -0.5305 18 C -4.3425 -0.4792 0.4977 C.3 1 UNL1111111111 -0.3412 19 C -5.7491 0.1011 0.3254 C.3 1 UNL1111111111 -0.2607 20 C -6.2139 0.7931 1.6120 C.3 1 UNL1111111111 -0.2647 21 C -7.6256 1.3666 1.4211 C.3 1 UNL1111111111 -0.2773 22 C -8.1537 1.9960 2.6687 C.2 1 UNL1111111111 -0.1693 23 C -9.3805 2.5148 2.7858 C.2 1 UNL1111111111 -0.1731 24 C -10.3980 2.5623 1.6934 C.3 1 UNL1111111111 -0.2785 25 C -11.7664 2.0788 2.2006 C.3 1 UNL1111111111 -0.2651 26 C -12.7846 2.0600 1.0540 C.3 1 UNL1111111111 -0.2733 27 C 1.7857 0.1040 -1.3832 C.3 1 UNL1111111111 -0.3541 28 C 2.9587 0.5916 -2.2400 C.3 1 UNL1111111111 -0.2604 29 C 4.0711 1.1646 -1.3543 C.3 1 UNL1111111111 -0.2642 30 C 5.1617 1.8043 -2.2226 C.3 1 UNL1111111111 -0.2737 31 C 6.3329 2.2905 -1.3611 C.3 1 UNL1111111111 -0.2672 32 C 7.3396 3.0721 -2.2195 C.3 1 UNL1111111111 -0.2810 33 C 8.5557 3.4146 -1.4212 C.2 1 UNL1111111111 -0.1709 34 C 9.7917 3.1220 -1.8348 C.2 1 UNL1111111111 -0.1633 35 C 11.0181 3.4648 -1.0532 C.3 1 UNL1111111111 -0.2808 36 C 11.8297 2.1914 -0.7657 C.3 1 UNL1111111111 -0.2633 37 C -14.1481 1.5493 1.5370 C.3 1 UNL1111111111 -0.2706 38 C 13.0960 2.5211 0.0330 C.3 1 UNL1111111111 -0.2732 39 C 13.8835 1.2428 0.3476 C.3 1 UNL1111111111 -0.2711 40 C 15.1478 1.5692 1.1525 C.3 1 UNL1111111111 -0.2725 41 C 15.9012 0.2859 1.5243 C.3 1 UNL1111111111 -0.2747 42 C 17.1580 0.6132 2.3403 C.3 1 UNL1111111111 -0.2725 43 C 17.9051 -0.6708 2.7247 C.3 1 UNL1111111111 -0.2509 44 C 19.1487 -0.3506 3.5538 C.3 1 UNL1111111111 -0.4398 45 C -15.1422 1.4919 0.3701 C.3 1 UNL1111111111 -0.2727 46 C -16.5025 0.9532 0.8313 C.3 1 UNL1111111111 -0.2746 47 C -17.4758 0.8730 -0.3519 C.3 1 UNL1111111111 -0.2725 48 C -18.8376 0.3270 0.0961 C.3 1 UNL1111111111 -0.2510 49 C -19.8097 0.2546 -1.0818 C.3 1 UNL1111111111 -0.4398 50 C 4.0603 -3.9345 0.6855 C.3 1 UNL1111111111 -0.0274 51 O 4.4491 -3.5096 1.9724 O.3 1 UNL1111111111 -0.5435 52 H 1.9230 -3.4208 2.1572 H 1 UNL1111111111 0.1594 53 H 1.1316 -4.2866 0.7862 H 1 UNL1111111111 0.1576 54 H 3.1239 -2.0055 0.1673 H 1 UNL1111111111 0.1198 55 H 1.9229 -3.0582 -1.5580 H 1 UNL1111111111 0.3550 56 H -3.1011 -1.8250 -3.0409 H 1 UNL1111111111 0.1535 57 H -1.9998 0.4792 -3.2894 H 1 UNL1111111111 0.1528 58 H -1.0039 -0.8475 -4.0289 H 1 UNL1111111111 0.1508 59 H -2.2164 -3.4824 -1.4637 H 1 UNL1111111111 0.1540 60 H -0.8947 -3.1733 -2.6611 H 1 UNL1111111111 0.1598 61 H -1.0295 -0.1903 -0.0904 H 1 UNL1111111111 0.3396 62 H -4.2951 -1.1560 1.3835 H 1 UNL1111111111 0.1947 63 H -3.5989 0.3205 0.7041 H 1 UNL1111111111 0.1816 64 H -5.7662 0.8171 -0.5185 H 1 UNL1111111111 0.1392 65 H -6.4594 -0.7069 0.0510 H 1 UNL1111111111 0.1560 66 H -6.2082 0.0759 2.4550 H 1 UNL1111111111 0.1446 67 H -5.5104 1.5996 1.8911 H 1 UNL1111111111 0.1400 68 H -7.6201 2.1109 0.5970 H 1 UNL1111111111 0.1473 69 H -8.3132 0.5588 1.0879 H 1 UNL1111111111 0.1528 70 H -7.4635 2.0102 3.5114 H 1 UNL1111111111 0.1438 71 H -9.7114 2.9566 3.7258 H 1 UNL1111111111 0.1432 72 H -10.4809 3.6024 1.3130 H 1 UNL1111111111 0.1468 73 H -10.0921 1.9538 0.8195 H 1 UNL1111111111 0.1437 74 H -11.6663 1.0678 2.6388 H 1 UNL1111111111 0.1415 75 H -12.1229 2.7308 3.0188 H 1 UNL1111111111 0.1369 76 H -12.8913 3.0738 0.6254 H 1 UNL1111111111 0.1358 77 H -12.4140 1.4197 0.2312 H 1 UNL1111111111 0.1370 78 H 2.1434 -0.5888 -0.5865 H 1 UNL1111111111 0.1908 79 H 1.3083 0.9506 -0.8463 H 1 UNL1111111111 0.1781 80 H 2.6108 1.3565 -2.9609 H 1 UNL1111111111 0.1427 81 H 3.3564 -0.2441 -2.8531 H 1 UNL1111111111 0.1579 82 H 4.5054 0.3652 -0.7250 H 1 UNL1111111111 0.1378 83 H 3.6582 1.9154 -0.6544 H 1 UNL1111111111 0.1393 84 H 4.7383 2.6491 -2.7981 H 1 UNL1111111111 0.1366 85 H 5.5251 1.0781 -2.9748 H 1 UNL1111111111 0.1408 86 H 6.8372 1.4304 -0.8814 H 1 UNL1111111111 0.1416 87 H 5.9665 2.9271 -0.5350 H 1 UNL1111111111 0.1362 88 H 6.8706 4.0027 -2.6018 H 1 UNL1111111111 0.1465 89 H 7.6017 2.4824 -3.1211 H 1 UNL1111111111 0.1443 90 H 8.3614 3.9230 -0.4797 H 1 UNL1111111111 0.1440 91 H 9.9798 2.6092 -2.7764 H 1 UNL1111111111 0.1435 92 H 10.7681 3.9746 -0.1021 H 1 UNL1111111111 0.1430 93 H 11.6355 4.1896 -1.6238 H 1 UNL1111111111 0.1471 94 H 12.0982 1.6898 -1.7140 H 1 UNL1111111111 0.1374 95 H 11.2037 1.4693 -0.2081 H 1 UNL1111111111 0.1404 96 H -14.0387 0.5466 1.9911 H 1 UNL1111111111 0.1377 97 H -14.5380 2.2046 2.3375 H 1 UNL1111111111 0.1362 98 H 12.8277 3.0404 0.9721 H 1 UNL1111111111 0.1368 99 H 13.7297 3.2278 -0.5342 H 1 UNL1111111111 0.1365 100 H 14.1550 0.7232 -0.5899 H 1 UNL1111111111 0.1365 101 H 13.2469 0.5364 0.9127 H 1 UNL1111111111 0.1371 102 H 14.8797 2.1282 2.0691 H 1 UNL1111111111 0.1366 103 H 15.8054 2.2396 0.5695 H 1 UNL1111111111 0.1361 104 H 16.1773 -0.2701 0.6093 H 1 UNL1111111111 0.1364 105 H 15.2409 -0.3881 2.1015 H 1 UNL1111111111 0.1367 106 H 16.8838 1.1775 3.2509 H 1 UNL1111111111 0.1365 107 H 17.8242 1.2794 1.7621 H 1 UNL1111111111 0.1362 108 H 18.1917 -1.2285 1.8129 H 1 UNL1111111111 0.1336 109 H 17.2347 -1.3427 3.2931 H 1 UNL1111111111 0.1338 110 H 18.8882 0.1730 4.4804 H 1 UNL1111111111 0.1423 111 H 19.6868 -1.2635 3.8316 H 1 UNL1111111111 0.1402 112 H 19.8461 0.2875 2.9997 H 1 UNL1111111111 0.1422 113 H -15.2651 2.4981 -0.0721 H 1 UNL1111111111 0.1358 114 H -14.7396 0.8524 -0.4378 H 1 UNL1111111111 0.1367 115 H -16.3802 -0.0453 1.2905 H 1 UNL1111111111 0.1370 116 H -16.9196 1.6026 1.6229 H 1 UNL1111111111 0.1361 117 H -17.6014 1.8725 -0.8080 H 1 UNL1111111111 0.1361 118 H -17.0548 0.2288 -1.1463 H 1 UNL1111111111 0.1366 119 H -18.7132 -0.6765 0.5454 H 1 UNL1111111111 0.1339 120 H -19.2581 0.9666 0.8946 H 1 UNL1111111111 0.1335 121 H -20.7854 -0.1321 -0.7679 H 1 UNL1111111111 0.1401 122 H -19.9742 1.2424 -1.5263 H 1 UNL1111111111 0.1421 123 H -19.4330 -0.4043 -1.8720 H 1 UNL1111111111 0.1424 124 H 3.7872 -4.9957 0.8311 H 1 UNL1111111111 0.1535 125 H 4.9077 -3.8738 -0.0183 H 1 UNL1111111111 0.1309 126 H 4.8186 -2.6055 1.9464 H 1 UNL1111111111 0.3111 @BOND 1 1 2 1 2 1 12 1 3 1 52 1 4 1 53 1 5 2 3 1 6 2 50 1 7 2 54 1 8 3 55 1 9 4 5 1 10 4 14 1 11 5 6 1 12 5 7 1 13 5 56 1 14 6 8 1 15 6 57 1 16 6 58 1 17 7 9 1 18 7 59 1 19 7 60 1 20 8 16 1 21 9 11 1 22 10 11 2 23 11 12 1 24 11 13 1 25 13 61 1 26 14 15 2 27 14 18 1 28 16 17 2 29 16 27 1 30 18 19 1 31 18 62 1 32 18 63 1 33 19 20 1 34 19 64 1 35 19 65 1 36 20 21 1 37 20 66 1 38 20 67 1 39 21 22 1 40 21 68 1 41 21 69 1 42 22 23 2 43 22 70 1 44 23 24 1 45 23 71 1 46 24 25 1 47 24 72 1 48 24 73 1 49 25 26 1 50 25 74 1 51 25 75 1 52 26 37 1 53 26 76 1 54 26 77 1 55 27 28 1 56 27 78 1 57 27 79 1 58 28 29 1 59 28 80 1 60 28 81 1 61 29 30 1 62 29 82 1 63 29 83 1 64 30 31 1 65 30 84 1 66 30 85 1 67 31 32 1 68 31 86 1 69 31 87 1 70 32 33 1 71 32 88 1 72 32 89 1 73 33 34 2 74 33 90 1 75 34 35 1 76 34 91 1 77 35 36 1 78 35 92 1 79 35 93 1 80 36 38 1 81 36 94 1 82 36 95 1 83 37 45 1 84 37 96 1 85 37 97 1 86 38 39 1 87 38 98 1 88 38 99 1 89 39 40 1 90 39 100 1 91 39 101 1 92 40 41 1 93 40 102 1 94 40 103 1 95 41 42 1 96 41 104 1 97 41 105 1 98 42 43 1 99 42 106 1 100 42 107 1 101 43 44 1 102 43 108 1 103 43 109 1 104 44 110 1 105 44 111 1 106 44 112 1 107 45 46 1 108 45 113 1 109 45 114 1 110 46 47 1 111 46 115 1 112 46 116 1 113 47 48 1 114 47 117 1 115 47 118 1 116 48 49 1 117 48 119 1 118 48 120 1 119 49 121 1 120 49 122 1 121 49 123 1 122 50 51 1 123 50 124 1 124 50 125 1 125 51 126 1