@MOLECULE (2r,5s,7r)-7-{[(2-acetamido-2-deoxy-alpha-d-glucopyranosyl)oxy]methyl}-5-hydroxy-2-[(15-methylhexadecanoyl)oxy]-5-oxido-8-oxo-4,6-dioxa-9-aza-5lambda~5~-phosphaoctacos-1-yl 15-methylhexadecanoate 214 214 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1930 -4.9135 -0.9423 O.2 1 UNL11111111 -0.5084 2 C 3.8059 -3.8794 -0.9106 C.2 1 UNL11111111 0.6132 3 C 4.9099 -3.4953 0.0264 C.3 1 UNL11111111 -0.3461 4 O 3.5978 -2.8815 -1.8116 O.3 1 UNL11111111 -0.4240 5 C 6.1287 -4.3651 -0.3095 C.3 1 UNL11111111 -0.2587 6 C 7.2518 -4.1739 0.7157 C.3 1 UNL11111111 -0.2650 7 C 8.4395 -5.0816 0.3660 C.3 1 UNL11111111 -0.2724 8 C 9.5560 -4.9539 1.4097 C.3 1 UNL11111111 -0.2746 9 C 10.7057 -5.9183 1.0902 C.3 1 UNL11111111 -0.2733 10 C 11.8482 -5.7641 2.1026 C.3 1 UNL11111111 -0.2729 11 C 12.9591 -6.7841 1.8196 C.3 1 UNL11111111 -0.2728 12 C 14.1281 -6.6076 2.7966 C.3 1 UNL11111111 -0.2728 13 C 15.2293 -7.6393 2.5176 C.3 1 UNL11111111 -0.2710 14 C 16.4051 -7.4458 3.4833 C.3 1 UNL11111111 -0.2730 15 C 17.4976 -8.4929 3.2331 C.3 1 UNL11111111 -0.2719 16 C 2.6751 -3.1355 -2.8655 C.3 1 UNL11111111 -0.0780 17 C 1.8277 -1.8628 -3.0218 C.3 1 UNL11111111 0.0916 18 C 1.1607 -1.8764 -4.4127 C.3 1 UNL11111111 -0.0514 19 C 4.2216 0.7602 -2.1446 C.3 1 UNL11111111 -0.3591 20 C 4.2713 1.8474 -1.0664 C.3 1 UNL11111111 -0.2550 21 C 5.4438 2.7993 -1.3292 C.3 1 UNL11111111 -0.2697 22 C 5.6049 3.8114 -0.1866 C.3 1 UNL11111111 -0.2700 23 C 6.9682 5.7783 0.6471 C.3 1 UNL11111111 -0.2722 24 C 8.0046 6.8414 0.2577 C.3 1 UNL11111111 -0.2736 25 C 8.3436 7.7450 1.4503 C.3 1 UNL11111111 -0.2721 26 C 9.2796 8.8824 1.0179 C.3 1 UNL11111111 -0.2728 27 C 9.6798 9.7519 2.2170 C.3 1 UNL11111111 -0.2712 28 C 10.5043 10.9655 1.7646 C.3 1 UNL11111111 -0.2724 29 C 11.0052 11.7562 2.9804 C.3 1 UNL11111111 -0.2724 30 O -0.0251 -1.0967 -4.1506 O.3 1 UNL11111111 -0.2550 31 P -1.1434 -0.9355 -5.2981 P.3 1 UNL11111111 0.3262 32 O -1.2372 0.6410 -5.4180 O.3 1 UNL11111111 -0.3458 33 O -1.0001 -1.6209 -6.5688 O.2 1 UNL11111111 -0.2445 34 O -2.3463 -1.4704 -4.3695 O.3 1 UNL11111111 -0.2313 35 C -3.6508 -0.9042 -4.3248 C.3 1 UNL11111111 0.0390 36 C -3.7977 0.6261 -4.1145 C.3 1 UNL11111111 -0.0787 37 C 6.6901 4.8397 -0.5345 C.3 1 UNL11111111 -0.2774 38 C 3.0993 -0.1965 -1.8775 C.2 1 UNL11111111 0.6182 39 O -2.7625 0.9056 -3.1958 O.3 1 UNL11111111 -0.4374 40 O 2.7027 -0.7389 -3.0659 O.3 1 UNL11111111 -0.4588 41 C -2.7832 2.1175 -2.4886 C.3 1 UNL11111111 0.2894 42 O 2.5827 -0.4726 -0.8306 O.2 1 UNL11111111 -0.4817 43 C -1.5210 1.9578 -1.5845 C.3 1 UNL11111111 0.0217 44 N -0.3299 1.7902 -2.4147 N.am 1 UNL11111111 -0.5963 45 C 0.1086 2.8470 -3.1861 C.2 1 UNL11111111 0.6084 46 O -0.5401 3.8766 -3.2230 O.2 1 UNL11111111 -0.5706 47 C 1.3546 2.6142 -3.9863 C.3 1 UNL11111111 -0.5280 48 C -1.7429 0.7071 -0.7100 C.3 1 UNL11111111 0.0711 49 O -0.6601 0.7134 0.1931 O.3 1 UNL11111111 -0.5499 50 C -3.0614 0.8167 0.0834 C.3 1 UNL11111111 0.0545 51 O -3.3511 -0.4296 0.6683 O.3 1 UNL11111111 -0.5606 52 C -4.2455 1.2200 -0.8148 C.3 1 UNL11111111 0.0175 53 C -5.4034 1.7920 0.0156 C.3 1 UNL11111111 -0.0191 54 O -6.5521 1.9188 -0.7967 O.3 1 UNL11111111 -0.5546 55 O -3.9278 2.2767 -1.7089 O.3 1 UNL11111111 -0.4647 56 C -4.1857 -1.5540 -3.0216 C.2 1 UNL11111111 0.5736 57 O -3.5252 -1.7001 -2.0169 O.2 1 UNL11111111 -0.5391 58 N -5.5158 -1.9140 -3.0750 N.am 1 UNL11111111 -0.6130 59 C -6.2568 -2.2596 -1.8528 C.3 1 UNL11111111 -0.0671 60 C -7.3574 -1.2125 -1.6170 C.3 1 UNL11111111 -0.3212 61 C -8.2444 -1.5829 -0.4240 C.3 1 UNL11111111 -0.2606 62 C -9.4195 -0.5971 -0.3438 C.3 1 UNL11111111 -0.2746 63 C -10.3911 -0.9476 0.7914 C.3 1 UNL11111111 -0.2718 64 C -11.7606 -0.3051 0.5251 C.3 1 UNL11111111 -0.2736 65 C -12.7633 -0.6240 1.6414 C.3 1 UNL11111111 -0.2724 66 C -14.1977 -0.3032 1.1953 C.3 1 UNL11111111 -0.2726 67 C -15.1792 -0.4831 2.3607 C.3 1 UNL11111111 -0.2728 68 C -16.6279 -0.2602 1.9054 C.3 1 UNL11111111 -0.2726 69 C -17.6022 -0.5122 3.0642 C.3 1 UNL11111111 -0.2726 70 C -19.0591 -0.4373 2.5876 C.3 1 UNL11111111 -0.2726 71 C -20.0192 -0.7736 3.7368 C.3 1 UNL11111111 -0.2727 72 C -21.4699 -0.8343 3.2414 C.3 1 UNL11111111 -0.2717 73 C 18.6953 -8.2499 4.1604 C.3 1 UNL11111111 -0.2893 74 C 19.7850 -9.3222 3.9717 C.3 1 UNL11111111 -0.0597 75 C 20.5386 -9.1071 2.6536 C.3 1 UNL11111111 -0.4535 76 C 20.7696 -9.2790 5.1484 C.3 1 UNL11111111 -0.4572 77 C 11.7946 12.9996 2.5503 C.3 1 UNL11111111 -0.2891 78 C 12.3824 13.7378 3.7691 C.3 1 UNL11111111 -0.0596 79 C 13.5833 12.9759 4.3434 C.3 1 UNL11111111 -0.4536 80 C 12.8147 15.1552 3.3710 C.3 1 UNL11111111 -0.4572 81 C -22.4319 -1.0838 4.4107 C.3 1 UNL11111111 -0.2722 82 C -23.8746 -1.2225 3.9075 C.3 1 UNL11111111 -0.2747 83 C -24.8451 -1.3958 5.0829 C.3 1 UNL11111111 -0.2722 84 C -26.2876 -1.5549 4.5838 C.3 1 UNL11111111 -0.2511 85 C -27.2563 -1.6916 5.7588 C.3 1 UNL11111111 -0.4398 86 H 5.1554 -2.4160 -0.0444 H 1 UNL11111111 0.1773 87 H 4.5771 -3.6645 1.0735 H 1 UNL11111111 0.1825 88 H 5.8289 -5.4341 -0.3414 H 1 UNL11111111 0.1560 89 H 6.4980 -4.1228 -1.3249 H 1 UNL11111111 0.1424 90 H 3.3057 -3.3341 -3.7511 H 1 UNL11111111 0.1392 91 H 2.0370 -4.0164 -2.6527 H 1 UNL11111111 0.1664 92 H 7.5745 -3.1167 0.7419 H 1 UNL11111111 0.1384 93 H 6.8852 -4.4070 1.7333 H 1 UNL11111111 0.1414 94 H 8.1039 -6.1345 0.3016 H 1 UNL11111111 0.1402 95 H 8.8301 -4.8264 -0.6368 H 1 UNL11111111 0.1360 96 H 9.9297 -3.9140 1.4420 H 1 UNL11111111 0.1356 97 H 9.1573 -5.1652 2.4195 H 1 UNL11111111 0.1378 98 H 10.3359 -6.9610 1.0945 H 1 UNL11111111 0.1378 99 H 11.0820 -5.7344 0.0667 H 1 UNL11111111 0.1361 100 H 12.2553 -4.7373 2.0600 H 1 UNL11111111 0.1361 101 H 11.4660 -5.8973 3.1315 H 1 UNL11111111 0.1370 102 H 12.5557 -7.8112 1.8949 H 1 UNL11111111 0.1368 103 H 13.3182 -6.6737 0.7794 H 1 UNL11111111 0.1362 104 H 14.5388 -5.5841 2.7146 H 1 UNL11111111 0.1362 105 H 13.7706 -6.7083 3.8381 H 1 UNL11111111 0.1365 106 H 14.8235 -8.6638 2.6135 H 1 UNL11111111 0.1366 107 H 15.5790 -7.5480 1.4725 H 1 UNL11111111 0.1360 108 H 16.8237 -6.4284 3.3693 H 1 UNL11111111 0.1363 109 H 16.0513 -7.5137 4.5290 H 1 UNL11111111 0.1364 110 H 17.0933 -9.5097 3.3922 H 1 UNL11111111 0.1357 111 H 17.8219 -8.4568 2.1765 H 1 UNL11111111 0.1371 112 H 19.1198 -7.2461 3.9760 H 1 UNL11111111 0.1386 113 H 18.3550 -8.2444 5.2129 H 1 UNL11111111 0.1369 114 H 1.0917 -1.7361 -2.1927 H 1 UNL11111111 0.1781 115 H 1.8154 -1.3794 -5.1612 H 1 UNL11111111 0.1506 116 H 0.9438 -2.9120 -4.7435 H 1 UNL11111111 0.1451 117 H 4.1347 1.2070 -3.1570 H 1 UNL11111111 0.1733 118 H 5.1745 0.1861 -2.1654 H 1 UNL11111111 0.1775 119 H 3.3171 2.4094 -1.0364 H 1 UNL11111111 0.1513 120 H 4.3624 1.3823 -0.0635 H 1 UNL11111111 0.1589 121 H 6.3821 2.2256 -1.4503 H 1 UNL11111111 0.1339 122 H 5.2883 3.3339 -2.2855 H 1 UNL11111111 0.1368 123 H 4.6455 4.3262 0.0087 H 1 UNL11111111 0.1433 124 H 5.8636 3.2863 0.7516 H 1 UNL11111111 0.1378 125 H 7.6222 4.3219 -0.8268 H 1 UNL11111111 0.1341 126 H 6.3795 5.4284 -1.4182 H 1 UNL11111111 0.1368 127 H 7.3282 5.1975 1.5163 H 1 UNL11111111 0.1364 128 H 6.0314 6.2662 0.9749 H 1 UNL11111111 0.1390 129 H 8.9236 6.3549 -0.1180 H 1 UNL11111111 0.1351 130 H 7.6200 7.4505 -0.5817 H 1 UNL11111111 0.1370 131 H 7.4168 8.1641 1.8847 H 1 UNL11111111 0.1375 132 H 8.8134 7.1496 2.2550 H 1 UNL11111111 0.1360 133 H 10.1844 8.4664 0.5370 H 1 UNL11111111 0.1357 134 H 8.7851 9.5038 0.2481 H 1 UNL11111111 0.1367 135 H 8.7776 10.0923 2.7584 H 1 UNL11111111 0.1367 136 H 10.2587 9.1495 2.9416 H 1 UNL11111111 0.1359 137 H 11.3614 10.6358 1.1491 H 1 UNL11111111 0.1362 138 H 9.8934 11.6161 1.1119 H 1 UNL11111111 0.1364 139 H 10.1513 12.0552 3.6153 H 1 UNL11111111 0.1356 140 H 11.6400 11.1061 3.6121 H 1 UNL11111111 0.1372 141 H 12.6048 12.7185 1.8535 H 1 UNL11111111 0.1388 142 H 11.1335 13.6814 1.9830 H 1 UNL11111111 0.1367 143 H -1.3208 1.0374 -4.4613 H 1 UNL11111111 0.3481 144 H -4.2260 -1.2304 -5.2242 H 1 UNL11111111 0.1422 145 H -3.6402 1.2108 -5.0407 H 1 UNL11111111 0.1497 146 H -4.7846 0.8907 -3.6970 H 1 UNL11111111 0.1347 147 H -2.7933 3.0089 -3.1494 H 1 UNL11111111 0.1650 148 H -1.4163 2.8769 -0.9458 H 1 UNL11111111 0.1810 149 H 0.1769 0.9188 -2.3382 H 1 UNL11111111 0.3378 150 H -1.7141 -0.2361 -1.3140 H 1 UNL11111111 0.1760 151 H 2.1607 2.1607 -3.3971 H 1 UNL11111111 0.1706 152 H 1.1566 1.9500 -4.8442 H 1 UNL11111111 0.1924 153 H 1.7272 3.5661 -4.3948 H 1 UNL11111111 0.1822 154 H -0.7105 -0.0677 0.7873 H 1 UNL11111111 0.3348 155 H -2.9381 1.4877 0.9639 H 1 UNL11111111 0.1649 156 H -3.4538 -1.1235 -0.0310 H 1 UNL11111111 0.3465 157 H -4.5878 0.3526 -1.4234 H 1 UNL11111111 0.1530 158 H -5.7148 1.0870 0.8109 H 1 UNL11111111 0.1595 159 H -5.1565 2.7764 0.4518 H 1 UNL11111111 0.1349 160 H -6.3649 2.5386 -1.5337 H 1 UNL11111111 0.3240 161 H -6.0736 -1.7693 -3.8998 H 1 UNL11111111 0.3059 162 H -6.6909 -3.2772 -1.9713 H 1 UNL11111111 0.1405 163 H -5.5625 -2.3086 -0.9832 H 1 UNL11111111 0.1646 164 H -6.9042 -0.2127 -1.4415 H 1 UNL11111111 0.1726 165 H -7.9776 -1.1024 -2.5260 H 1 UNL11111111 0.1368 166 H -8.6217 -2.6162 -0.5279 H 1 UNL11111111 0.1333 167 H -7.6598 -1.5577 0.5144 H 1 UNL11111111 0.1429 168 H -9.0356 0.4337 -0.2067 H 1 UNL11111111 0.1513 169 H -9.9585 -0.5895 -1.3104 H 1 UNL11111111 0.1330 170 H -10.5025 -2.0440 0.8794 H 1 UNL11111111 0.1357 171 H -9.9861 -0.6047 1.7601 H 1 UNL11111111 0.1376 172 H -11.6496 0.7906 0.4214 H 1 UNL11111111 0.1377 173 H -12.1533 -0.6625 -0.4457 H 1 UNL11111111 0.1353 174 H -12.6918 -1.6899 1.9259 H 1 UNL11111111 0.1360 175 H -12.5082 -0.0507 2.5509 H 1 UNL11111111 0.1368 176 H -14.2558 0.7303 0.8071 H 1 UNL11111111 0.1367 177 H -14.4847 -0.9604 0.3531 H 1 UNL11111111 0.1356 178 H -15.0714 -1.4974 2.7888 H 1 UNL11111111 0.1365 179 H -14.9280 0.2198 3.1765 H 1 UNL11111111 0.1364 180 H -16.7534 0.7681 1.5203 H 1 UNL11111111 0.1360 181 H -16.8647 -0.9324 1.0597 H 1 UNL11111111 0.1364 182 H -17.4053 -1.5050 3.5112 H 1 UNL11111111 0.1367 183 H -17.4294 0.2236 3.8711 H 1 UNL11111111 0.1361 184 H -19.2783 0.5707 2.1909 H 1 UNL11111111 0.1360 185 H -19.2175 -1.1367 1.7455 H 1 UNL11111111 0.1365 186 H -19.7388 -1.7420 4.1925 H 1 UNL11111111 0.1364 187 H -19.9227 -0.0203 4.5406 H 1 UNL11111111 0.1364 188 H -21.7366 0.1075 2.7275 H 1 UNL11111111 0.1363 189 H -21.5770 -1.6343 2.4855 H 1 UNL11111111 0.1362 190 H -22.1345 -1.9959 4.9605 H 1 UNL11111111 0.1364 191 H -22.3626 -0.2547 5.1394 H 1 UNL11111111 0.1364 192 H 19.3011 -10.3282 3.9509 H 1 UNL11111111 0.1287 193 H 21.0138 -8.1210 2.6207 H 1 UNL11111111 0.1440 194 H 21.3251 -9.8569 2.5181 H 1 UNL11111111 0.1410 195 H 19.8654 -9.1770 1.7922 H 1 UNL11111111 0.1420 196 H 20.2666 -9.4836 6.0991 H 1 UNL11111111 0.1412 197 H 21.5603 -10.0276 5.0286 H 1 UNL11111111 0.1427 198 H 21.2524 -8.2999 5.2311 H 1 UNL11111111 0.1444 199 H 11.5937 13.8145 4.5559 H 1 UNL11111111 0.1288 200 H 13.9861 13.4801 5.2279 H 1 UNL11111111 0.1408 201 H 13.3074 11.9589 4.6408 H 1 UNL11111111 0.1422 202 H 14.3933 12.8953 3.6108 H 1 UNL11111111 0.1440 203 H 11.9719 15.7402 2.9898 H 1 UNL11111111 0.1413 204 H 13.2286 15.6961 4.2290 H 1 UNL11111111 0.1426 205 H 13.5844 15.1377 2.5925 H 1 UNL11111111 0.1443 206 H -24.1559 -0.3333 3.3133 H 1 UNL11111111 0.1363 207 H -23.9543 -2.0850 3.2202 H 1 UNL11111111 0.1361 208 H -24.5563 -2.2756 5.6874 H 1 UNL11111111 0.1364 209 H -24.7763 -0.5256 5.7621 H 1 UNL11111111 0.1365 210 H -26.5707 -0.6863 3.9602 H 1 UNL11111111 0.1335 211 H -26.3650 -2.4395 3.9241 H 1 UNL11111111 0.1334 212 H -27.0245 -2.5729 6.3677 H 1 UNL11111111 0.1422 213 H -27.2129 -0.8160 6.4164 H 1 UNL11111111 0.1423 214 H -28.2908 -1.7925 5.4129 H 1 UNL11111111 0.1399 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 86 1 6 3 87 1 7 4 16 1 8 5 6 1 9 5 88 1 10 5 89 1 11 6 7 1 12 6 92 1 13 6 93 1 14 7 8 1 15 7 94 1 16 7 95 1 17 8 9 1 18 8 96 1 19 8 97 1 20 9 10 1 21 9 98 1 22 9 99 1 23 10 11 1 24 10 100 1 25 10 101 1 26 11 12 1 27 11 102 1 28 11 103 1 29 12 13 1 30 12 104 1 31 12 105 1 32 13 14 1 33 13 106 1 34 13 107 1 35 14 15 1 36 14 108 1 37 14 109 1 38 15 73 1 39 15 110 1 40 15 111 1 41 16 17 1 42 16 90 1 43 16 91 1 44 17 18 1 45 17 40 1 46 17 114 1 47 18 30 1 48 18 115 1 49 18 116 1 50 19 20 1 51 19 38 1 52 19 117 1 53 19 118 1 54 20 21 1 55 20 119 1 56 20 120 1 57 21 22 1 58 21 121 1 59 21 122 1 60 22 37 1 61 22 123 1 62 22 124 1 63 23 24 1 64 23 37 1 65 23 127 1 66 23 128 1 67 24 25 1 68 24 129 1 69 24 130 1 70 25 26 1 71 25 131 1 72 25 132 1 73 26 27 1 74 26 133 1 75 26 134 1 76 27 28 1 77 27 135 1 78 27 136 1 79 28 29 1 80 28 137 1 81 28 138 1 82 29 77 1 83 29 139 1 84 29 140 1 85 30 31 1 86 31 32 1 87 31 33 2 88 31 34 1 89 32 143 1 90 34 35 1 91 35 36 1 92 35 56 1 93 35 144 1 94 36 39 1 95 36 145 1 96 36 146 1 97 37 125 1 98 37 126 1 99 38 40 1 100 38 42 2 101 39 41 1 102 41 43 1 103 41 55 1 104 41 147 1 105 43 44 1 106 43 48 1 107 43 148 1 108 44 45 am 109 44 149 1 110 45 46 2 111 45 47 1 112 47 151 1 113 47 152 1 114 47 153 1 115 48 49 1 116 48 50 1 117 48 150 1 118 49 154 1 119 50 51 1 120 50 52 1 121 50 155 1 122 51 156 1 123 52 53 1 124 52 55 1 125 52 157 1 126 53 54 1 127 53 158 1 128 53 159 1 129 54 160 1 130 56 57 2 131 56 58 am 132 58 59 1 133 58 161 1 134 59 60 1 135 59 162 1 136 59 163 1 137 60 61 1 138 60 164 1 139 60 165 1 140 61 62 1 141 61 166 1 142 61 167 1 143 62 63 1 144 62 168 1 145 62 169 1 146 63 64 1 147 63 170 1 148 63 171 1 149 64 65 1 150 64 172 1 151 64 173 1 152 65 66 1 153 65 174 1 154 65 175 1 155 66 67 1 156 66 176 1 157 66 177 1 158 67 68 1 159 67 178 1 160 67 179 1 161 68 69 1 162 68 180 1 163 68 181 1 164 69 70 1 165 69 182 1 166 69 183 1 167 70 71 1 168 70 184 1 169 70 185 1 170 71 72 1 171 71 186 1 172 71 187 1 173 72 81 1 174 72 188 1 175 72 189 1 176 73 74 1 177 73 112 1 178 73 113 1 179 74 75 1 180 74 76 1 181 74 192 1 182 75 193 1 183 75 194 1 184 75 195 1 185 76 196 1 186 76 197 1 187 76 198 1 188 77 78 1 189 77 141 1 190 77 142 1 191 78 79 1 192 78 80 1 193 78 199 1 194 79 200 1 195 79 201 1 196 79 202 1 197 80 203 1 198 80 204 1 199 80 205 1 200 81 82 1 201 81 190 1 202 81 191 1 203 82 83 1 204 82 206 1 205 82 207 1 206 83 84 1 207 83 208 1 208 83 209 1 209 84 85 1 210 84 210 1 211 84 211 1 212 85 212 1 213 85 213 1 214 85 214 1