@MOLECULE S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxytetradecanethioate 87 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 11.3783 2.7809 -0.9737 O.2 1 UNL111111111 -0.2461 2 P 10.0182 3.1474 -0.6285 P.3 1 UNL111111111 0.3383 3 O 9.1546 3.5608 -1.8948 O.3 1 UNL111111111 -0.2794 4 O 9.1053 2.1101 0.1889 O.3 1 UNL111111111 -0.3327 5 C -2.7303 -0.9819 -0.8640 C.2 1 UNL111111111 0.4529 6 O -2.2321 0.0562 -0.5295 O.2 1 UNL111111111 -0.4464 7 C -4.0961 -1.0954 -1.4683 C.3 1 UNL111111111 -0.4419 8 C -5.1511 -0.6574 -0.4282 C.3 1 UNL111111111 0.1816 9 O -5.1260 -1.5361 0.6677 O.3 1 UNL111111111 -0.5470 10 C -6.5426 -0.6155 -1.0722 C.3 1 UNL111111111 -0.3400 11 C -7.5904 -0.1547 -0.0530 C.3 1 UNL111111111 -0.2614 12 C -8.9884 -0.1586 -0.6826 C.3 1 UNL111111111 -0.2758 13 C -10.0453 0.3125 0.3249 C.3 1 UNL111111111 -0.2718 14 C -11.4291 0.3640 -0.3351 C.3 1 UNL111111111 -0.2743 15 C -12.4928 0.8596 0.6530 C.3 1 UNL111111111 -0.2707 16 C -13.8605 0.9544 -0.0359 C.3 1 UNL111111111 -0.2727 17 C -14.9343 1.4458 0.9429 C.3 1 UNL111111111 -0.2743 18 C -16.2910 1.5687 0.2373 C.3 1 UNL111111111 -0.2723 19 C -17.3669 2.0734 1.2079 C.3 1 UNL111111111 -0.2509 20 C -18.7130 2.2271 0.4997 C.3 1 UNL111111111 -0.4398 21 C 9.2168 0.6871 -0.0176 C.3 1 UNL111111111 -0.0244 22 C 8.9404 0.0926 1.3868 C.3 1 UNL111111111 0.0324 23 C 10.1351 0.3413 2.3112 C.3 1 UNL111111111 -0.4448 24 C 7.6732 0.7135 1.9790 C.3 1 UNL111111111 -0.4648 25 C 8.7629 -1.4453 1.2553 C.3 1 UNL111111111 0.0332 26 O 9.8839 -2.0174 0.6339 O.3 1 UNL111111111 -0.5223 27 C 7.5245 -1.8157 0.4294 C.2 1 UNL111111111 0.5306 28 O 7.5640 -1.8263 -0.7858 O.2 1 UNL111111111 -0.5391 29 N 6.3932 -2.1745 1.1229 N.am 1 UNL111111111 -0.5957 30 C 5.1779 -2.5583 0.4035 C.3 1 UNL111111111 -0.0371 31 C 4.2029 -1.3676 0.3032 C.3 1 UNL111111111 -0.3994 32 C 2.9138 -1.8554 -0.3157 C.2 1 UNL111111111 0.5872 33 O 2.7407 -3.0016 -0.6765 O.2 1 UNL111111111 -0.5327 34 N 1.9186 -0.9105 -0.4740 N.am 1 UNL111111111 -0.6131 35 C 0.6368 -1.3104 -1.0670 C.3 1 UNL111111111 -0.0461 36 C -0.2301 -2.0310 -0.0234 C.3 1 UNL111111111 -0.3450 37 S -1.8347 -2.5491 -0.7177 S.3 1 UNL111111111 -0.0809 38 O 9.7749 4.4170 0.3186 O.3 1 UNL111111111 -0.3573 39 H 8.2276 3.8754 -1.5758 H 1 UNL111111111 0.3080 40 H -4.1507 -0.4304 -2.3587 H 1 UNL111111111 0.1849 41 H -4.3309 -2.1102 -1.8437 H 1 UNL111111111 0.1766 42 H -4.8745 0.3152 0.0458 H 1 UNL111111111 0.1603 43 H -5.4353 -2.4311 0.4260 H 1 UNL111111111 0.3167 44 H -6.5377 0.0680 -1.9420 H 1 UNL111111111 0.1492 45 H -6.8142 -1.6113 -1.4693 H 1 UNL111111111 0.1441 46 H -7.5660 -0.8118 0.8389 H 1 UNL111111111 0.1519 47 H -7.3423 0.8574 0.3195 H 1 UNL111111111 0.1420 48 H -9.0028 0.4942 -1.5757 H 1 UNL111111111 0.1359 49 H -9.2407 -1.1727 -1.0442 H 1 UNL111111111 0.1347 50 H -10.0655 -0.3643 1.1992 H 1 UNL111111111 0.1387 51 H -9.7767 1.3100 0.7198 H 1 UNL111111111 0.1384 52 H -11.4001 1.0268 -1.2203 H 1 UNL111111111 0.1360 53 H -11.7050 -0.6374 -0.7149 H 1 UNL111111111 0.1361 54 H -12.5509 0.1786 1.5220 H 1 UNL111111111 0.1372 55 H -12.2041 1.8469 1.0590 H 1 UNL111111111 0.1370 56 H -13.7996 1.6376 -0.9038 H 1 UNL111111111 0.1363 57 H -14.1473 -0.0318 -0.4459 H 1 UNL111111111 0.1363 58 H -15.0132 0.7510 1.7994 H 1 UNL111111111 0.1366 59 H -14.6403 2.4228 1.3699 H 1 UNL111111111 0.1366 60 H -16.2087 2.2570 -0.6243 H 1 UNL111111111 0.1365 61 H -16.5906 0.5911 -0.1836 H 1 UNL111111111 0.1363 62 H -17.4654 1.3741 2.0594 H 1 UNL111111111 0.1337 63 H -17.0580 3.0419 1.6448 H 1 UNL111111111 0.1337 64 H -18.6549 2.9545 -0.3177 H 1 UNL111111111 0.1422 65 H -19.0518 1.2772 0.0719 H 1 UNL111111111 0.1424 66 H -19.4887 2.5716 1.1924 H 1 UNL111111111 0.1404 67 H 8.4164 0.4133 -0.7390 H 1 UNL111111111 0.1441 68 H 10.1927 0.3280 -0.4024 H 1 UNL111111111 0.1462 69 H 10.3271 1.4122 2.4391 H 1 UNL111111111 0.1548 70 H 9.9776 -0.0829 3.3074 H 1 UNL111111111 0.1368 71 H 11.0506 -0.1095 1.9008 H 1 UNL111111111 0.1659 72 H 6.8181 0.6253 1.2995 H 1 UNL111111111 0.1491 73 H 7.4061 0.2679 2.9403 H 1 UNL111111111 0.1343 74 H 7.8172 1.7911 2.1518 H 1 UNL111111111 0.1712 75 H 8.7631 -1.9293 2.2587 H 1 UNL111111111 0.1547 76 H 9.8260 -1.9197 -0.3493 H 1 UNL111111111 0.3373 77 H 6.3418 -2.1262 2.1244 H 1 UNL111111111 0.3085 78 H 5.4376 -2.9214 -0.6240 H 1 UNL111111111 0.1869 79 H 4.6942 -3.4176 0.9232 H 1 UNL111111111 0.1562 80 H 4.0221 -0.9221 1.2986 H 1 UNL111111111 0.1640 81 H 4.6543 -0.5677 -0.3212 H 1 UNL111111111 0.1825 82 H 1.9943 0.0237 -0.1179 H 1 UNL111111111 0.3117 83 H 0.1277 -0.3971 -1.4539 H 1 UNL111111111 0.1505 84 H 0.8376 -1.9816 -1.9403 H 1 UNL111111111 0.1699 85 H 0.2858 -2.9519 0.3272 H 1 UNL111111111 0.1903 86 H -0.3863 -1.3917 0.8664 H 1 UNL111111111 0.1737 87 H 10.1934 4.2308 1.2325 H 1 UNL111111111 0.3170 @BOND 1 1 2 2 2 2 3 1 3 2 38 1 4 3 39 1 5 4 2 1 6 5 6 2 7 5 37 1 8 7 5 1 9 7 40 1 10 7 41 1 11 8 7 1 12 8 42 1 13 9 8 1 14 9 43 1 15 10 11 1 16 10 8 1 17 10 44 1 18 10 45 1 19 11 46 1 20 11 47 1 21 12 11 1 22 12 48 1 23 12 49 1 24 13 12 1 25 13 14 1 26 13 50 1 27 13 51 1 28 14 52 1 29 14 53 1 30 15 16 1 31 15 14 1 32 15 54 1 33 15 55 1 34 16 17 1 35 16 56 1 36 16 57 1 37 17 58 1 38 17 59 1 39 18 17 1 40 18 60 1 41 18 61 1 42 19 18 1 43 19 62 1 44 19 63 1 45 20 19 1 46 20 64 1 47 20 65 1 48 20 66 1 49 21 4 1 50 21 67 1 51 21 68 1 52 22 21 1 53 22 25 1 54 23 22 1 55 23 69 1 56 23 70 1 57 23 71 1 58 24 22 1 59 24 72 1 60 24 73 1 61 24 74 1 62 25 26 1 63 25 75 1 64 26 76 1 65 27 25 1 66 27 29 am 67 28 27 2 68 29 77 1 69 30 29 1 70 30 78 1 71 30 79 1 72 31 30 1 73 31 80 1 74 31 81 1 75 32 31 1 76 32 34 am 77 33 32 2 78 34 82 1 79 35 34 1 80 35 36 1 81 35 83 1 82 35 84 1 83 36 85 1 84 36 86 1 85 37 36 1 86 38 87 1