@MOLECULE (2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-4,7,10,13,16,19-docosahexaenoate 72 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 11.3974 -0.8604 -0.4392 O.3 1 UNL111111111 -0.3895 2 O 10.6342 -3.0881 -1.2117 O.3 1 UNL111111111 -0.2369 3 P 10.4156 -2.0494 -0.0311 P.3 1 UNL111111111 0.3334 4 O 10.5709 -2.6341 1.2868 O.2 1 UNL111111111 -0.2425 5 O 4.8744 2.6021 1.3099 O.2 1 UNL111111111 -0.4959 6 O 8.9617 -1.4849 -0.4536 O.3 1 UNL111111111 -0.3378 7 C 8.1409 -0.7258 0.4325 C.3 1 UNL111111111 -0.0538 8 C 8.4366 0.7757 0.2718 C.3 1 UNL111111111 0.0963 9 C 7.2880 1.6227 0.8519 C.3 1 UNL111111111 -0.0791 10 O 6.1805 1.3302 0.0018 O.3 1 UNL111111111 -0.4477 11 C 4.9909 1.9058 0.3378 C.2 1 UNL111111111 0.6079 12 C 3.9585 1.5043 -0.6670 C.3 1 UNL111111111 -0.3420 13 C 2.7232 2.4050 -0.5437 C.3 1 UNL111111111 -0.2581 14 C 1.6940 1.9781 -1.5376 C.2 1 UNL111111111 -0.1873 15 C 0.5395 1.3705 -1.2511 C.2 1 UNL111111111 -0.1310 16 C 0.0579 0.9954 0.1146 C.3 1 UNL111111111 -0.2868 17 C -1.2990 1.5889 0.3378 C.2 1 UNL111111111 -0.1679 18 C -2.3990 0.8485 0.4917 C.2 1 UNL111111111 -0.1509 19 C -3.7561 1.4446 0.7026 C.3 1 UNL111111111 -0.2851 20 C -4.6956 0.9367 -0.3466 C.2 1 UNL111111111 -0.1632 21 C -5.8684 0.3686 -0.0566 C.2 1 UNL111111111 -0.1542 22 C -6.8055 -0.1405 -1.1067 C.3 1 UNL111111111 -0.2886 23 C -7.1278 -1.5756 -0.8265 C.2 1 UNL111111111 -0.1490 24 C -8.2900 -2.0165 -0.3371 C.2 1 UNL111111111 -0.1647 25 C -9.4515 -1.1383 0.0134 C.3 1 UNL111111111 -0.2816 26 C -10.2488 -0.7843 -1.2027 C.2 1 UNL111111111 -0.1638 27 C -11.2473 0.1034 -1.2253 C.2 1 UNL111111111 -0.1613 28 C -11.7293 0.8926 -0.0485 C.3 1 UNL111111111 -0.2781 29 C -13.2156 0.7528 0.0839 C.2 1 UNL111111111 -0.1847 30 C -13.8220 -0.3033 0.6364 C.2 1 UNL111111111 -0.1435 31 C -13.0921 -1.4854 1.1859 C.3 1 UNL111111111 -0.2602 32 C -14.0420 -2.5505 1.7347 C.3 1 UNL111111111 -0.4375 33 O 9.6270 1.1559 0.9257 O.3 1 UNL111111111 -0.5609 34 H 7.1312 -0.9665 0.0191 H 1 UNL111111111 0.1568 35 H 8.1607 -1.0423 1.4930 H 1 UNL111111111 0.1360 36 H 8.6437 1.0433 -0.7919 H 1 UNL111111111 0.1686 37 H 7.0365 1.3606 1.8931 H 1 UNL111111111 0.1409 38 H 7.5101 2.7038 0.7984 H 1 UNL111111111 0.1519 39 H 4.3759 1.5453 -1.6965 H 1 UNL111111111 0.1816 40 H 3.6786 0.4390 -0.5101 H 1 UNL111111111 0.1830 41 H 2.3383 2.3828 0.4986 H 1 UNL111111111 0.1626 42 H 3.0012 3.4679 -0.7128 H 1 UNL111111111 0.1577 43 H 1.9564 2.2055 -2.5722 H 1 UNL111111111 0.1451 44 H -0.1583 1.1014 -2.0479 H 1 UNL111111111 0.1464 45 H 0.0421 -0.1129 0.2080 H 1 UNL111111111 0.1542 46 H 0.7504 1.3379 0.9145 H 1 UNL111111111 0.1571 47 H -1.3193 2.6771 0.3546 H 1 UNL111111111 0.1492 48 H -2.3806 -0.2399 0.4689 H 1 UNL111111111 0.1481 49 H -4.1127 1.1999 1.7271 H 1 UNL111111111 0.1547 50 H -3.7279 2.5559 0.6665 H 1 UNL111111111 0.1546 51 H -4.3459 1.0660 -1.3693 H 1 UNL111111111 0.1483 52 H -6.2168 0.2344 0.9657 H 1 UNL111111111 0.1471 53 H -7.7227 0.4897 -1.1291 H 1 UNL111111111 0.1627 54 H -6.3744 -0.0438 -2.1262 H 1 UNL111111111 0.1507 55 H -6.3132 -2.2647 -1.0507 H 1 UNL111111111 0.1432 56 H -8.4599 -3.0794 -0.1688 H 1 UNL111111111 0.1433 57 H -10.1072 -1.6460 0.7557 H 1 UNL111111111 0.1518 58 H -9.0975 -0.2174 0.5286 H 1 UNL111111111 0.1578 59 H -9.9586 -1.3179 -2.1087 H 1 UNL111111111 0.1513 60 H -11.7932 0.3070 -2.1475 H 1 UNL111111111 0.1478 61 H -11.2284 0.5833 0.8928 H 1 UNL111111111 0.1493 62 H -11.4474 1.9605 -0.1842 H 1 UNL111111111 0.1516 63 H -13.7897 1.5855 -0.3164 H 1 UNL111111111 0.1422 64 H -14.9080 -0.3518 0.7052 H 1 UNL111111111 0.1442 65 H -12.4504 -1.9265 0.3902 H 1 UNL111111111 0.1554 66 H -12.3907 -1.1604 1.9837 H 1 UNL111111111 0.1444 67 H -14.7414 -2.8972 0.9651 H 1 UNL111111111 0.1449 68 H -13.4907 -3.4257 2.0956 H 1 UNL111111111 0.1416 69 H -14.6346 -2.1649 2.5721 H 1 UNL111111111 0.1439 70 H 9.6239 0.8976 1.8722 H 1 UNL111111111 0.3259 71 H 11.0446 0.0133 -0.0182 H 1 UNL111111111 0.3446 72 H 10.5732 -2.5762 -2.1078 H 1 UNL111111111 0.3055 @BOND 1 1 3 1 2 1 71 1 3 2 3 1 4 2 72 1 5 3 4 2 6 3 6 1 7 5 11 2 8 6 7 1 9 7 8 1 10 7 34 1 11 7 35 1 12 8 9 1 13 8 33 1 14 8 36 1 15 9 10 1 16 9 37 1 17 9 38 1 18 10 11 1 19 11 12 1 20 12 13 1 21 12 39 1 22 12 40 1 23 13 14 1 24 13 41 1 25 13 42 1 26 14 15 2 27 14 43 1 28 15 16 1 29 15 44 1 30 16 17 1 31 16 45 1 32 16 46 1 33 17 18 2 34 17 47 1 35 18 19 1 36 18 48 1 37 19 20 1 38 19 49 1 39 19 50 1 40 20 21 2 41 20 51 1 42 21 22 1 43 21 52 1 44 22 23 1 45 22 53 1 46 22 54 1 47 23 24 2 48 23 55 1 49 24 25 1 50 24 56 1 51 25 26 1 52 25 57 1 53 25 58 1 54 26 27 2 55 26 59 1 56 27 28 1 57 27 60 1 58 28 29 1 59 28 61 1 60 28 62 1 61 29 30 2 62 29 63 1 63 30 31 1 64 30 64 1 65 31 32 1 66 31 65 1 67 31 66 1 68 32 67 1 69 32 68 1 70 32 69 1 71 33 70 1