@MOLECULE (5s,6r,7r,9r,11e,13e,15r,16r)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside 91 92 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7786 -0.8385 -0.3494 O.3 1 UNL1111 -0.4032 2 O 3.0663 -0.4837 1.4609 O.3 1 UNL1111 -0.4913 3 O 3.9297 -2.5402 -1.4166 O.3 1 UNL1111 -0.5414 4 O -3.7232 -1.7324 -0.5335 O.3 1 UNL1111 -0.4578 5 O 0.6066 4.4168 -2.0139 O.2 1 UNL1111 -0.4419 6 O -0.6095 0.6213 4.2722 O.2 1 UNL1111 -0.4556 7 O -3.3065 -3.2655 1.0564 O.2 1 UNL1111 -0.5196 8 O -6.0951 0.8832 1.6836 O.3 1 UNL1111 -0.5389 9 N 6.3373 -0.6190 -1.2522 N.3 1 UNL1111 -0.3926 10 C 0.5802 -0.6724 0.3929 C.3 1 UNL1111 0.0962 11 C 0.3877 0.8259 0.7555 C.3 1 UNL1111 -0.1308 12 C -0.5405 -1.1758 -0.5526 C.3 1 UNL1111 -0.1184 13 C 5.4227 -1.0853 -0.1712 C.3 1 UNL1111 -0.0030 14 C 2.8853 -1.3396 0.3544 C.3 1 UNL1111 0.2789 15 C 3.9988 -1.3138 -0.7245 C.3 1 UNL1111 0.0584 16 C 5.3496 0.0268 0.8919 C.3 1 UNL1111 -0.3558 17 C 1.3775 1.7073 -0.0223 C.3 1 UNL1111 -0.2733 18 C 4.3765 -0.3891 1.9923 C.3 1 UNL1111 0.1617 19 C -0.6287 -2.7109 -0.4754 C.3 1 UNL1111 -0.2642 20 C 0.5663 1.0329 2.2641 C.3 1 UNL1111 -0.4260 21 C 0.9977 3.1982 0.0047 C.3 1 UNL1111 -0.1893 22 C -0.2903 -0.7209 -1.9908 C.3 1 UNL1111 -0.4366 23 C -1.9830 -3.2223 -0.9812 C.3 1 UNL1111 -0.3480 24 C 4.2514 0.6778 3.0781 C.3 1 UNL1111 -0.4700 25 C 2.2514 4.0675 0.1066 C.3 1 UNL1111 -0.4359 26 C 6.2127 -1.4198 -2.4901 C.3 1 UNL1111 -0.2757 27 C 7.7454 -0.6561 -0.7912 C.3 1 UNL1111 -0.2845 28 C 0.2242 3.5631 -1.2522 C.2 1 UNL1111 0.4528 29 C -0.5435 0.4399 3.0805 C.2 1 UNL1111 0.3535 30 C -3.0555 -2.7924 -0.0220 C.2 1 UNL1111 0.6169 31 C -4.7919 -1.1673 0.2457 C.3 1 UNL1111 0.1509 32 C -1.0271 2.8193 -1.5335 C.2 1 UNL1111 -0.2688 33 C -4.9437 0.2421 -0.3634 C.3 1 UNL1111 -0.1990 34 C -6.0245 -2.0636 0.1001 C.3 1 UNL1111 -0.3115 35 C -2.0594 2.7635 -0.6884 C.2 1 UNL1111 -0.1172 36 C -3.7088 1.0561 -0.1416 C.2 1 UNL1111 -0.1986 37 C -3.2805 2.0047 -0.9886 C.2 1 UNL1111 0.0156 38 C -6.1438 0.9655 0.2773 C.3 1 UNL1111 -0.0017 39 C -6.4685 -2.2399 -1.3486 C.3 1 UNL1111 -0.4296 40 C -3.9713 2.3495 -2.2643 C.3 1 UNL1111 -0.4492 41 H 0.6153 -1.2901 1.3166 H 1 UNL1111 0.1249 42 H -0.6511 1.1250 0.4722 H 1 UNL1111 0.1437 43 H -1.5111 -0.7393 -0.2049 H 1 UNL1111 0.1482 44 H 5.7876 -2.0356 0.2956 H 1 UNL1111 0.1145 45 H 2.6734 -2.3539 0.7526 H 1 UNL1111 0.1125 46 H 3.7425 -0.5638 -1.5162 H 1 UNL1111 0.1897 47 H 5.0214 0.9737 0.4142 H 1 UNL1111 0.1797 48 H 6.3457 0.2427 1.3156 H 1 UNL1111 0.1563 49 H 1.4649 1.3503 -1.0688 H 1 UNL1111 0.1619 50 H 2.3968 1.5576 0.3941 H 1 UNL1111 0.1722 51 H 4.6414 -1.3800 2.4251 H 1 UNL1111 0.1138 52 H -0.4683 -3.0621 0.5637 H 1 UNL1111 0.1482 53 H 0.1907 -3.1603 -1.0712 H 1 UNL1111 0.1581 54 H 1.5398 0.6001 2.5978 H 1 UNL1111 0.2013 55 H 0.6716 2.1107 2.5068 H 1 UNL1111 0.1754 56 H 0.3406 3.4109 0.8844 H 1 UNL1111 0.1547 57 H -0.1946 0.3689 -2.0518 H 1 UNL1111 0.1453 58 H -1.1099 -1.0177 -2.6527 H 1 UNL1111 0.1377 59 H 0.6388 -1.1488 -2.3919 H 1 UNL1111 0.1630 60 H -1.9790 -4.3295 -1.0524 H 1 UNL1111 0.1704 61 H -2.1850 -2.8454 -2.0054 H 1 UNL1111 0.1749 62 H 5.2126 0.8617 3.5687 H 1 UNL1111 0.1548 63 H 3.5321 0.3727 3.8498 H 1 UNL1111 0.1623 64 H 3.8938 1.6284 2.6615 H 1 UNL1111 0.1616 65 H 4.2009 -3.2907 -0.8536 H 1 UNL1111 0.3067 66 H 2.9341 3.8812 -0.7334 H 1 UNL1111 0.1603 67 H 2.0007 5.1357 0.0704 H 1 UNL1111 0.1554 68 H 2.7981 3.8798 1.0356 H 1 UNL1111 0.1401 69 H 6.9780 -1.0969 -3.2138 H 1 UNL1111 0.1398 70 H 5.2316 -1.2189 -2.9575 H 1 UNL1111 0.1639 71 H 6.3016 -2.5055 -2.3426 H 1 UNL1111 0.1231 72 H 7.8703 0.0033 0.0820 H 1 UNL1111 0.1425 73 H 8.1128 -1.6592 -0.5306 H 1 UNL1111 0.1179 74 H 8.3887 -0.2456 -1.5883 H 1 UNL1111 0.1493 75 H -1.2998 -0.1687 2.5675 H 1 UNL1111 0.1098 76 H -4.4714 -1.1165 1.3123 H 1 UNL1111 0.1485 77 H -1.0433 2.3361 -2.5127 H 1 UNL1111 0.1778 78 H -5.1343 0.1234 -1.4613 H 1 UNL1111 0.1671 79 H -6.8505 -1.6558 0.7176 H 1 UNL1111 0.1598 80 H -5.7932 -3.0557 0.5457 H 1 UNL1111 0.1631 81 H -2.0523 3.2738 0.2776 H 1 UNL1111 0.1567 82 H -3.1613 0.8256 0.7710 H 1 UNL1111 0.1505 83 H -7.1049 0.4743 0.0340 H 1 UNL1111 0.1442 84 H -6.1868 2.0260 -0.0284 H 1 UNL1111 0.1190 85 H -5.6219 -2.5144 -1.9911 H 1 UNL1111 0.1506 86 H -7.2195 -3.0338 -1.4374 H 1 UNL1111 0.1430 87 H -6.9102 -1.3250 -1.7567 H 1 UNL1111 0.1361 88 H -5.0348 2.5755 -2.1067 H 1 UNL1111 0.1537 89 H -3.5326 3.2284 -2.7590 H 1 UNL1111 0.1629 90 H -3.9162 1.5165 -2.9824 H 1 UNL1111 0.1621 91 H -5.2956 1.3300 2.0293 H 1 UNL1111 0.3151 @BOND 1 1 10 1 2 1 14 1 3 2 14 1 4 2 18 1 5 3 15 1 6 3 65 1 7 4 30 1 8 4 31 1 9 5 28 2 10 6 29 2 11 7 30 2 12 8 38 1 13 8 91 1 14 9 13 1 15 9 26 1 16 9 27 1 17 10 11 1 18 10 12 1 19 10 41 1 20 11 17 1 21 11 20 1 22 11 42 1 23 12 19 1 24 12 22 1 25 12 43 1 26 13 15 1 27 13 16 1 28 13 44 1 29 14 15 1 30 14 45 1 31 15 46 1 32 16 18 1 33 16 47 1 34 16 48 1 35 17 21 1 36 17 49 1 37 17 50 1 38 18 24 1 39 18 51 1 40 19 23 1 41 19 52 1 42 19 53 1 43 20 29 1 44 20 54 1 45 20 55 1 46 21 25 1 47 21 28 1 48 21 56 1 49 22 57 1 50 22 58 1 51 22 59 1 52 23 30 1 53 23 60 1 54 23 61 1 55 24 62 1 56 24 63 1 57 24 64 1 58 25 66 1 59 25 67 1 60 25 68 1 61 26 69 1 62 26 70 1 63 26 71 1 64 27 72 1 65 27 73 1 66 27 74 1 67 28 32 1 68 29 75 1 69 31 33 1 70 31 34 1 71 31 76 1 72 32 35 2 73 32 77 1 74 33 36 1 75 33 38 1 76 33 78 1 77 34 39 1 78 34 79 1 79 34 80 1 80 35 37 1 81 35 81 1 82 36 37 2 83 36 82 1 84 37 40 1 85 38 83 1 86 38 84 1 87 39 85 1 88 39 86 1 89 39 87 1 90 40 88 1 91 40 89 1 92 40 90 1