@MOLECULE (11e,13z)-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside 42 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.2466 0.5710 -0.2989 O.3 1 UNL1 -0.3298 2 O 2.6674 0.5837 -1.9668 O.2 1 UNL1 -0.4994 3 O 3.3390 -1.2727 0.7881 O.2 1 UNL1 -0.3984 4 O -2.7487 1.2858 2.8818 O.2 1 UNL1 -0.1392 5 O -2.9829 2.4187 0.3476 O.2 1 UNL1 -0.7786 6 O -1.8046 -4.8831 -0.1138 O.2 1 UNL1 -0.4649 7 O -0.7797 4.1369 -0.0552 O.2 1 UNL1 -0.1099 8 O -1.2256 -0.0173 -1.0236 O.2 1 UNL1 0.0816 9 N 5.9490 -0.3389 0.4432 N.3 1 UNL1 -0.3091 10 C 0.9928 0.3426 1.0971 C.3 1 UNL1 -0.0067 11 C 0.6541 -1.0747 1.3073 C.2 1 UNL1 -0.6773 12 C 0.3759 1.5264 1.6896 C.3 1 UNL1 -0.5039 13 C 4.8971 0.0420 -0.3907 C.3 1 UNL1 -0.2637 14 C 3.5455 -0.3987 -0.0109 C.2 1 UNL1 0.4206 15 C 2.4335 0.2906 -0.8124 C.2 1 UNL1 0.4957 16 C 5.1205 0.7483 -1.5052 C.1 1 UNL1 0.5092 17 C 5.3560 1.4178 -2.5524 C.1 1 UNL1 -0.6978 18 C -0.4413 -1.6225 0.6123 C.3 1 UNL1 0.1430 19 C -1.9220 1.7569 2.2464 C.1 1 UNL1 0.6684 20 C 1.4766 -1.6779 2.1780 C.2 1 UNL1 0.5978 21 C 1.6549 1.3603 2.1007 C.3 1 UNL1 0.1510 22 C -0.4396 -3.0353 0.2956 C.2 1 UNL1 -0.7790 23 C -0.8387 2.2430 1.5814 C.1 1 UNL1 -0.2906 24 C 5.5066 2.0953 -3.6537 C.3 1 UNL1 0.5702 25 C 7.2797 -0.5022 0.5617 C.3 1 UNL1 0.0123 26 C 6.2868 -0.8047 1.6717 C.3 1 UNL1 0.1345 27 C 0.7355 -3.6388 0.1146 C.2 1 UNL1 0.5903 28 C -1.7150 -3.6869 0.0485 C.2 1 UNL1 0.5379 29 C -0.8692 3.2693 0.6823 C.1 1 UNL1 0.6700 30 C -3.9264 1.9691 -0.3107 C.2 1 UNL1 0.7589 31 C -2.9366 -2.8409 0.0090 C.2 1 UNL1 -0.1903 32 C -3.6649 0.4870 -0.7405 C.2 1 UNL1 -0.4217 33 C -5.1026 2.4999 -0.6833 C.1 1 UNL1 -0.8844 34 C -4.7493 -0.3088 -0.9254 C.3 1 UNL1 0.2267 35 C -3.4889 -2.4809 -1.1512 C.2 1 UNL1 -0.1141 36 C -2.3375 0.1649 -0.8794 C.1 1 UNL1 0.5452 37 C -4.7410 -1.7078 -1.1957 C.2 1 UNL1 -0.6102 38 C -6.1753 3.0649 -1.0167 C.1 1 UNL1 0.2350 39 C -5.8364 -2.4311 -1.4635 C.2 1 UNL1 0.5821 40 H -3.3408 -2.5786 0.9877 H 1 UNL1 0.1831 41 H -5.7482 0.1789 -0.8496 H 1 UNL1 0.1860 42 H -3.0618 -2.7477 -2.1206 H 1 UNL1 0.1695 @BOND 1 24 17 1 2 17 16 3 3 42 35 1 4 2 15 2 5 16 13 1 6 39 37 2 7 37 35 1 8 37 34 1 9 35 31 2 10 8 36 2 11 38 33 3 12 34 41 1 13 34 32 1 14 36 32 2 15 15 1 1 16 15 14 1 17 32 30 1 18 33 30 1 19 13 14 1 20 13 9 1 21 30 5 2 22 1 10 1 23 6 28 2 24 7 29 2 25 14 3 2 26 31 28 1 27 31 40 1 28 28 22 1 29 27 22 2 30 22 18 1 31 9 25 1 32 9 26 1 33 25 26 1 34 18 11 1 35 29 23 2 36 10 11 1 37 10 12 1 38 10 21 1 39 11 20 2 40 23 12 1 41 23 19 2 42 12 21 1 43 19 4 2