@MOLECULE (19r,25r)-22,25,26-trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9s,10s)-9,10-dibromooctadecanoate 130 129 0 0 0 SMALL GASTEIGER @ATOM 1 C -18.5024 5.9955 2.5350 C.3 1 UNL1111111111 -0.4396 2 C -17.8313 4.6672 2.1849 C.3 1 UNL1111111111 -0.2510 3 C -16.3631 4.8835 1.7941 C.3 1 UNL1111111111 -0.2727 4 C -15.6937 3.5521 1.4302 C.3 1 UNL1111111111 -0.2752 5 C -14.2177 3.7687 1.0731 C.3 1 UNL1111111111 -0.2720 6 C -13.5341 2.4334 0.7523 C.3 1 UNL1111111111 -0.2686 7 C -12.0511 2.6539 0.4260 C.3 1 UNL1111111111 -0.2705 8 C -11.3622 1.3144 0.1339 C.3 1 UNL1111111111 -0.2969 9 C -9.8689 1.4904 -0.1213 C.3 1 UNL1111111111 -0.0923 10 BR -9.5902 2.2312 -1.9339 Br 1 UNL1111111111 -0.1285 11 C -9.0737 0.2049 0.0642 C.3 1 UNL1111111111 -0.0932 12 BR -9.6784 -1.1832 -1.2080 Br 1 UNL1111111111 -0.1266 13 C -7.5689 0.4076 -0.0793 C.3 1 UNL1111111111 -0.2977 14 C -6.7723 -0.7271 0.5782 C.3 1 UNL1111111111 -0.2708 15 C -5.2681 -0.5056 0.3721 C.3 1 UNL1111111111 -0.2726 16 C -4.4606 -1.6572 0.9842 C.3 1 UNL1111111111 -0.2708 17 C -2.9680 -1.4924 0.6718 C.3 1 UNL1111111111 -0.2710 18 C -2.1533 -2.6266 1.3035 C.3 1 UNL1111111111 -0.2585 19 C -0.6926 -2.5484 0.8515 C.3 1 UNL1111111111 -0.3475 20 C 0.0819 -3.6883 1.4270 C.2 1 UNL1111111111 0.6376 21 O -0.2840 -4.8111 1.6576 O.2 1 UNL1111111111 -0.5225 22 O 1.3531 -3.2790 1.7180 O.3 1 UNL1111111111 -0.4485 23 C 2.2693 -4.2752 2.1742 C.3 1 UNL1111111111 0.0510 24 C 2.8134 -5.0652 0.9721 C.3 1 UNL1111111111 -0.0616 25 O 3.5067 -4.2555 0.0114 O.3 1 UNL1111111111 -0.2450 26 P 2.7052 -3.3552 -1.0551 P.3 1 UNL1111111111 0.3089 27 O 1.3384 -3.6892 -1.4135 O.2 1 UNL1111111111 -0.2711 28 O 2.9326 -1.8694 -0.4916 O.3 1 UNL1111111111 -0.4276 29 O 3.7787 -3.4828 -2.2410 O.3 1 UNL1111111111 -0.1913 30 C 4.1196 -2.3393 -3.0542 C.3 1 UNL1111111111 -0.0877 31 C 5.4695 -1.7730 -2.5891 C.3 1 UNL1111111111 0.0793 32 O 5.2928 -0.5983 -1.8169 O.3 1 UNL1111111111 -0.5924 33 C 6.3263 -1.2978 -3.7774 C.3 1 UNL1111111111 -0.0271 34 O 7.6113 -0.9404 -3.3161 O.3 1 UNL1111111111 -0.5424 35 C 3.3060 -3.4766 2.9726 C.3 1 UNL1111111111 -0.0493 36 O 4.1941 -2.7715 2.1217 O.3 1 UNL1111111111 -0.4353 37 C 5.3502 -3.4040 1.7607 C.2 1 UNL1111111111 0.6370 38 O 5.6426 -4.4874 2.1949 O.2 1 UNL1111111111 -0.5230 39 C 6.1321 -2.5317 0.8334 C.3 1 UNL1111111111 -0.3459 40 C 7.3888 -2.0092 1.5367 C.3 1 UNL1111111111 -0.2551 41 C 8.1937 -1.1243 0.5763 C.3 1 UNL1111111111 -0.2733 42 C 9.3892 -0.4981 1.3021 C.3 1 UNL1111111111 -0.2702 43 C 10.2131 0.3763 0.3486 C.3 1 UNL1111111111 -0.2730 44 C 11.3937 1.0085 1.0961 C.3 1 UNL1111111111 -0.2721 45 C 12.2577 1.8536 0.1519 C.3 1 UNL1111111111 -0.2722 46 C 13.4185 2.4933 0.9250 C.3 1 UNL1111111111 -0.2742 47 C 14.3335 3.2864 -0.0154 C.3 1 UNL1111111111 -0.2722 48 C 15.4774 3.9385 0.7718 C.3 1 UNL1111111111 -0.2720 49 C 16.4294 4.6846 -0.1711 C.3 1 UNL1111111111 -0.2721 50 C 17.5544 5.3634 0.6201 C.3 1 UNL1111111111 -0.2748 51 C 18.4999 6.1174 -0.3233 C.3 1 UNL1111111111 -0.2721 52 C 19.6316 6.7914 0.4640 C.3 1 UNL1111111111 -0.2511 53 C 20.5695 7.5506 -0.4746 C.3 1 UNL1111111111 -0.4398 54 H -19.5525 5.8493 2.8111 H 1 UNL1111111111 0.1406 55 H -18.0050 6.4854 3.3793 H 1 UNL1111111111 0.1421 56 H -18.4783 6.6917 1.6892 H 1 UNL1111111111 0.1428 57 H -18.3751 4.1755 1.3564 H 1 UNL1111111111 0.1343 58 H -17.8960 3.9731 3.0439 H 1 UNL1111111111 0.1333 59 H -15.8196 5.3669 2.6269 H 1 UNL1111111111 0.1359 60 H -16.2984 5.5860 0.9425 H 1 UNL1111111111 0.1375 61 H -16.2237 3.0807 0.5816 H 1 UNL1111111111 0.1380 62 H -15.7799 2.8428 2.2741 H 1 UNL1111111111 0.1357 63 H -13.6970 4.2699 1.9103 H 1 UNL1111111111 0.1355 64 H -14.1346 4.4551 0.2094 H 1 UNL1111111111 0.1393 65 H -14.0419 1.9444 -0.1006 H 1 UNL1111111111 0.1414 66 H -13.6389 1.7403 1.6076 H 1 UNL1111111111 0.1363 67 H -11.5523 3.1680 1.2685 H 1 UNL1111111111 0.1364 68 H -11.9603 3.3345 -0.4427 H 1 UNL1111111111 0.1508 69 H -11.8670 0.8153 -0.7199 H 1 UNL1111111111 0.1711 70 H -11.5159 0.6276 0.9926 H 1 UNL1111111111 0.1528 71 H -9.4524 2.2776 0.5513 H 1 UNL1111111111 0.1642 72 H -9.3118 -0.2312 1.0631 H 1 UNL1111111111 0.1647 73 H -7.2755 1.3746 0.3800 H 1 UNL1111111111 0.1522 74 H -7.2717 0.5008 -1.1456 H 1 UNL1111111111 0.1712 75 H -7.0647 -1.7057 0.1502 H 1 UNL1111111111 0.1520 76 H -7.0029 -0.7867 1.6578 H 1 UNL1111111111 0.1366 77 H -4.9576 0.4558 0.8206 H 1 UNL1111111111 0.1351 78 H -5.0453 -0.4237 -0.7096 H 1 UNL1111111111 0.1424 79 H -4.8233 -2.6259 0.5897 H 1 UNL1111111111 0.1431 80 H -4.6214 -1.6958 2.0771 H 1 UNL1111111111 0.1356 81 H -2.6080 -0.5142 1.0409 H 1 UNL1111111111 0.1354 82 H -2.8140 -1.4792 -0.4247 H 1 UNL1111111111 0.1438 83 H -2.5799 -3.6123 1.0226 H 1 UNL1111111111 0.1594 84 H -2.2206 -2.5784 2.4065 H 1 UNL1111111111 0.1399 85 H -0.2380 -1.5718 1.1166 H 1 UNL1111111111 0.1756 86 H -0.6273 -2.6051 -0.2640 H 1 UNL1111111111 0.2037 87 H 1.7285 -4.9781 2.8592 H 1 UNL1111111111 0.1551 88 H 3.6694 -5.7164 1.2832 H 1 UNL1111111111 0.1693 89 H 2.0163 -5.7094 0.5417 H 1 UNL1111111111 0.1593 90 H 2.9082 -1.9258 0.5386 H 1 UNL1111111111 0.3570 91 H 4.2014 -2.8483 -4.0430 H 1 UNL1111111111 0.1481 92 H 3.3632 -1.5345 -3.1494 H 1 UNL1111111111 0.1569 93 H 6.0368 -2.5077 -1.9699 H 1 UNL1111111111 0.1475 94 H 4.5819 -0.7250 -1.1517 H 1 UNL1111111111 0.3456 95 H 6.5246 -2.1063 -4.5027 H 1 UNL1111111111 0.1405 96 H 5.8732 -0.4279 -4.2853 H 1 UNL1111111111 0.1281 97 H 7.5232 -0.2993 -2.5747 H 1 UNL1111111111 0.3287 98 H 3.8665 -4.1326 3.6664 H 1 UNL1111111111 0.1535 99 H 2.8232 -2.6550 3.5411 H 1 UNL1111111111 0.1562 100 H 5.5224 -1.6788 0.4626 H 1 UNL1111111111 0.1803 101 H 6.4092 -3.1291 -0.0657 H 1 UNL1111111111 0.1858 102 H 8.0107 -2.8550 1.8910 H 1 UNL1111111111 0.1517 103 H 7.1102 -1.4341 2.4407 H 1 UNL1111111111 0.1428 104 H 7.5464 -0.3311 0.1545 H 1 UNL1111111111 0.1440 105 H 8.5423 -1.7190 -0.2900 H 1 UNL1111111111 0.1447 106 H 10.0292 -1.2916 1.7322 H 1 UNL1111111111 0.1379 107 H 9.0383 0.1074 2.1589 H 1 UNL1111111111 0.1360 108 H 9.5768 1.1651 -0.0931 H 1 UNL1111111111 0.1360 109 H 10.5802 -0.2283 -0.5017 H 1 UNL1111111111 0.1398 110 H 12.0108 0.2183 1.5638 H 1 UNL1111111111 0.1358 111 H 11.0215 1.6347 1.9282 H 1 UNL1111111111 0.1347 112 H 11.6439 2.6375 -0.3289 H 1 UNL1111111111 0.1371 113 H 12.6472 1.2256 -0.6709 H 1 UNL1111111111 0.1384 114 H 14.0019 1.7105 1.4459 H 1 UNL1111111111 0.1363 115 H 13.0241 3.1557 1.7172 H 1 UNL1111111111 0.1355 116 H 13.7513 4.0600 -0.5495 H 1 UNL1111111111 0.1365 117 H 14.7424 2.6198 -0.7978 H 1 UNL1111111111 0.1372 118 H 16.0339 3.1691 1.3389 H 1 UNL1111111111 0.1362 119 H 15.0679 4.6351 1.5267 H 1 UNL1111111111 0.1359 120 H 15.8704 5.4378 -0.7567 H 1 UNL1111111111 0.1365 121 H 16.8573 3.9817 -0.9104 H 1 UNL1111111111 0.1366 122 H 18.1189 4.6095 1.1995 H 1 UNL1111111111 0.1362 123 H 17.1270 6.0606 1.3643 H 1 UNL1111111111 0.1361 124 H 17.9372 6.8758 -0.8985 H 1 UNL1111111111 0.1364 125 H 18.9232 5.4224 -1.0719 H 1 UNL1111111111 0.1365 126 H 20.1996 6.0326 1.0345 H 1 UNL1111111111 0.1335 127 H 19.2091 7.4830 1.2171 H 1 UNL1111111111 0.1334 128 H 21.3859 8.0264 0.0793 H 1 UNL1111111111 0.1398 129 H 21.0203 6.8825 -1.2170 H 1 UNL1111111111 0.1424 130 H 20.0382 8.3383 -1.0201 H 1 UNL1111111111 0.1422 @BOND 1 1 2 1 2 1 54 1 3 1 55 1 4 1 56 1 5 2 3 1 6 2 57 1 7 2 58 1 8 3 4 1 9 3 59 1 10 3 60 1 11 4 5 1 12 4 61 1 13 4 62 1 14 5 6 1 15 5 63 1 16 5 64 1 17 6 7 1 18 6 65 1 19 6 66 1 20 7 8 1 21 7 67 1 22 7 68 1 23 8 9 1 24 8 69 1 25 8 70 1 26 9 10 1 27 9 11 1 28 9 71 1 29 11 12 1 30 11 13 1 31 11 72 1 32 13 14 1 33 13 73 1 34 13 74 1 35 14 15 1 36 14 75 1 37 14 76 1 38 15 16 1 39 15 77 1 40 15 78 1 41 16 17 1 42 16 79 1 43 16 80 1 44 17 18 1 45 17 81 1 46 17 82 1 47 18 19 1 48 18 83 1 49 18 84 1 50 19 20 1 51 19 85 1 52 19 86 1 53 20 21 2 54 20 22 1 55 22 23 1 56 23 24 1 57 23 35 1 58 23 87 1 59 24 25 1 60 24 88 1 61 24 89 1 62 25 26 1 63 26 27 2 64 26 28 1 65 26 29 1 66 28 90 1 67 29 30 1 68 30 31 1 69 30 91 1 70 30 92 1 71 31 32 1 72 31 33 1 73 31 93 1 74 32 94 1 75 33 34 1 76 33 95 1 77 33 96 1 78 34 97 1 79 35 36 1 80 35 98 1 81 35 99 1 82 36 37 1 83 37 38 2 84 37 39 1 85 39 40 1 86 39 100 1 87 39 101 1 88 40 41 1 89 40 102 1 90 40 103 1 91 41 42 1 92 41 104 1 93 41 105 1 94 42 43 1 95 42 106 1 96 42 107 1 97 43 44 1 98 43 108 1 99 43 109 1 100 44 45 1 101 44 110 1 102 44 111 1 103 45 46 1 104 45 112 1 105 45 113 1 106 46 47 1 107 46 114 1 108 46 115 1 109 47 48 1 110 47 116 1 111 47 117 1 112 48 49 1 113 48 118 1 114 48 119 1 115 49 50 1 116 49 120 1 117 49 121 1 118 50 51 1 119 50 122 1 120 50 123 1 121 51 52 1 122 51 124 1 123 51 125 1 124 52 53 1 125 52 126 1 126 52 127 1 127 53 128 1 128 53 129 1 129 53 130 1