@MOLECULE (2r)-2-acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate 89 88 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.5106 -0.2091 0.6437 C.3 1 UNL1111111111 -0.0800 2 C 4.8001 0.2523 -0.8032 C.3 1 UNL1111111111 0.0302 3 C 6.2585 0.7615 -0.9431 C.3 1 UNL1111111111 -0.0250 4 O 3.2361 -0.8182 0.6702 O.3 1 UNL1111111111 -0.4052 5 O 6.9965 -0.2652 -1.6284 O.3 1 UNL1111111111 -0.2870 6 N 3.8628 1.3093 -1.2160 N.am 1 UNL1111111111 -0.6129 7 C 3.9253 2.5721 -0.6571 C.2 1 UNL1111111111 0.6040 8 O 4.8412 2.8846 0.0783 O.2 1 UNL1111111111 -0.5525 9 C 2.8252 3.5187 -1.0514 C.3 1 UNL1111111111 -0.5373 10 P 8.0504 -1.2169 -0.8826 P.3 1 UNL1111111111 0.3167 11 O 7.6262 -2.0242 0.2479 O.2 1 UNL1111111111 -0.2542 12 O 8.5030 -2.0718 -2.1469 O.3 1 UNL1111111111 -0.2599 13 O 9.2724 -0.1891 -0.7074 O.3 1 UNL1111111111 -0.3294 14 C 10.0015 -0.0229 0.5204 C.3 1 UNL1111111111 0.0173 15 C 11.2474 -0.9089 0.4842 C.3 1 UNL1111111111 -0.3685 16 S 12.4906 -0.3619 1.7094 S.3 1 UNL1111111111 -0.0080 17 C 13.3671 0.9723 0.8353 C.3 1 UNL1111111111 -0.5046 18 C 2.1813 -0.0007 1.1611 C.3 1 UNL1111111111 -0.0440 19 C 0.9365 -0.5017 0.4216 C.3 1 UNL1111111111 -0.3004 20 C -0.3136 0.2369 0.9048 C.3 1 UNL1111111111 -0.2720 21 C -1.5568 -0.2875 0.1741 C.3 1 UNL1111111111 -0.2677 22 C -2.8342 0.3377 0.7488 C.3 1 UNL1111111111 -0.2730 23 C -4.0706 -0.1963 0.0144 C.3 1 UNL1111111111 -0.2744 24 C -5.3596 0.3103 0.6737 C.3 1 UNL1111111111 -0.2726 25 C -6.5908 -0.2103 -0.0792 C.3 1 UNL1111111111 -0.2726 26 C -7.8838 0.2466 0.6081 C.3 1 UNL1111111111 -0.2727 27 C -9.1107 -0.2759 -0.1500 C.3 1 UNL1111111111 -0.2725 28 C -10.4072 0.1739 0.5355 C.3 1 UNL1111111111 -0.2726 29 C -11.6294 -0.3030 -0.2591 C.3 1 UNL1111111111 -0.2728 30 C -12.9314 0.0919 0.4494 C.3 1 UNL1111111111 -0.2716 31 C -14.1471 -0.3717 -0.3635 C.3 1 UNL1111111111 -0.2723 32 C -15.4530 -0.0138 0.3567 C.3 1 UNL1111111111 -0.2746 33 C -16.6662 -0.4652 -0.4666 C.3 1 UNL1111111111 -0.2722 34 C -17.9740 -0.1359 0.2656 C.3 1 UNL1111111111 -0.2510 35 C -19.1858 -0.5590 -0.5649 C.3 1 UNL1111111111 -0.4398 36 H 4.6102 0.6132 1.3688 H 1 UNL1111111111 0.1381 37 H 5.1831 -1.0408 0.9418 H 1 UNL1111111111 0.1699 38 H 4.6410 -0.6214 -1.4968 H 1 UNL1111111111 0.1708 39 H 6.3273 1.5954 -1.6796 H 1 UNL1111111111 0.1519 40 H 6.6620 1.1349 0.0159 H 1 UNL1111111111 0.1527 41 H 3.0480 1.0056 -1.7225 H 1 UNL1111111111 0.3098 42 H 2.9870 4.5020 -0.5790 H 1 UNL1111111111 0.1884 43 H 2.7949 3.6838 -2.1364 H 1 UNL1111111111 0.1754 44 H 1.8379 3.1630 -0.7312 H 1 UNL1111111111 0.1713 45 H 8.7365 -1.4225 -2.9145 H 1 UNL1111111111 0.3086 46 H 10.2474 1.0614 0.4281 H 1 UNL1111111111 0.1334 47 H 9.4136 -0.1706 1.4486 H 1 UNL1111111111 0.1414 48 H 11.0007 -1.9615 0.7359 H 1 UNL1111111111 0.1811 49 H 11.6780 -0.9374 -0.5339 H 1 UNL1111111111 0.1684 50 H 14.1309 1.3784 1.5106 H 1 UNL1111111111 0.1710 51 H 13.8728 0.6095 -0.0649 H 1 UNL1111111111 0.1610 52 H 12.6984 1.7905 0.5509 H 1 UNL1111111111 0.1618 53 H 2.3662 1.0692 0.9815 H 1 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1 UNL1111111111 0.1362 73 H -10.4246 1.2753 0.6317 H 1 UNL1111111111 0.1362 74 H -10.4463 -0.2214 1.5675 H 1 UNL1111111111 0.1366 75 H -11.5902 -1.4005 -0.3908 H 1 UNL1111111111 0.1366 76 H -11.6078 0.1258 -1.2784 H 1 UNL1111111111 0.1362 77 H -12.9679 1.1872 0.5959 H 1 UNL1111111111 0.1362 78 H -12.9610 -0.3512 1.4623 H 1 UNL1111111111 0.1365 79 H -14.0959 -1.4637 -0.5319 H 1 UNL1111111111 0.1365 80 H -14.1293 0.0915 -1.3677 H 1 UNL1111111111 0.1363 81 H -15.5014 1.0767 0.5338 H 1 UNL1111111111 0.1362 82 H -15.4758 -0.4855 1.3566 H 1 UNL1111111111 0.1364 83 H -16.6085 -1.5513 -0.6663 H 1 UNL1111111111 0.1365 84 H -16.6546 0.0256 -1.4575 H 1 UNL1111111111 0.1363 85 H -18.0237 0.9481 0.4815 H 1 UNL1111111111 0.1335 86 H -17.9946 -0.6421 1.2492 H 1 UNL1111111111 0.1336 87 H -20.1229 -0.3038 -0.0583 H 1 UNL1111111111 0.1400 88 H -19.1944 -0.0637 -1.5420 H 1 UNL1111111111 0.1423 89 H -19.1912 -1.6398 -0.7434 H 1 UNL1111111111 0.1422 @BOND 1 1 2 1 2 1 4 1 3 1 36 1 4 1 37 1 5 2 3 1 6 2 6 1 7 2 38 1 8 3 5 1 9 3 39 1 10 3 40 1 11 4 18 1 12 5 10 1 13 6 7 am 14 6 41 1 15 7 8 2 16 7 9 1 17 9 42 1 18 9 43 1 19 9 44 1 20 10 11 2 21 10 12 1 22 10 13 1 23 12 45 1 24 13 14 1 25 14 15 1 26 14 46 1 27 14 47 1 28 15 16 1 29 15 48 1 30 15 49 1 31 16 17 1 32 17 50 1 33 17 51 1 34 17 52 1 35 18 19 1 36 18 53 1 37 18 54 1 38 19 20 1 39 19 55 1 40 19 56 1 41 20 21 1 42 20 57 1 43 20 58 1 44 21 22 1 45 21 59 1 46 21 60 1 47 22 23 1 48 22 61 1 49 22 62 1 50 23 24 1 51 23 63 1 52 23 64 1 53 24 25 1 54 24 65 1 55 24 66 1 56 25 26 1 57 25 67 1 58 25 68 1 59 26 27 1 60 26 69 1 61 26 70 1 62 27 28 1 63 27 71 1 64 27 72 1 65 28 29 1 66 28 73 1 67 28 74 1 68 29 30 1 69 29 75 1 70 29 76 1 71 30 31 1 72 30 77 1 73 30 78 1 74 31 32 1 75 31 79 1 76 31 80 1 77 32 33 1 78 32 81 1 79 32 82 1 80 33 34 1 81 33 83 1 82 33 84 1 83 34 35 1 84 34 85 1 85 34 86 1 86 35 87 1 87 35 88 1 88 35 89 1