@MOLECULE retapamulin 36 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.0973 0.9992 1.8197 C.3 1 UNL1 -0.2307 2 C -0.5269 1.6508 0.6069 C.2 1 UNL1 0.5709 3 C 0.3100 2.6140 -0.1370 C.2 1 UNL1 -0.6907 4 C 1.4959 -1.0524 0.9187 C.3 1 UNL1 0.2042 5 C 0.6909 -0.2345 1.5481 C.3 1 UNL1 -0.1564 6 C 3.6668 0.0304 0.3240 C.2 1 UNL1 -0.5151 7 C 3.5674 1.4219 0.1626 C.2 1 UNL1 0.0293 8 C 2.7592 2.2330 -0.3065 C.2 1 UNL1 -0.1792 9 C 2.3462 -0.5445 -0.2064 C.3 1 UNL1 -0.1478 10 C 1.4527 2.0821 -0.9137 C.3 1 UNL1 0.2297 11 C 1.5836 0.4830 -1.0132 C.3 1 UNL1 -0.2026 12 C 1.5587 0.0879 -2.3399 C.3 1 UNL1 0.1146 13 C 1.3116 1.2317 -3.1370 C.2 1 UNL1 -0.0040 14 C 1.2969 2.3139 -2.3873 C.2 1 UNL1 -0.0061 15 C 2.5908 -1.6259 -1.3410 C.3 1 UNL1 0.4267 16 O 2.0896 -1.1889 -2.4782 O.3 1 UNL1 -0.2558 17 C 0.0224 3.9109 -0.1310 C.2 1 UNL1 0.5602 18 C -0.4806 1.2613 3.2165 C.3 1 UNL1 0.5433 19 C 0.7428 1.9120 2.8233 C.2 1 UNL1 -0.8639 20 C 1.7480 2.6786 3.1328 C.2 1 UNL1 0.5591 21 O 1.7100 -2.3539 1.2426 O.3 1 UNL1 -0.4028 22 C 0.5608 -3.1986 1.2343 C.2 1 UNL1 0.6821 23 C -0.2900 -2.9731 0.1502 C.3 1 UNL1 -0.5864 24 O 0.5428 -4.0244 2.1024 O.2 1 UNL1 -0.4203 25 S -1.1267 -2.7350 -0.9950 S.3 1 UNL1 0.8398 26 C -2.0882 -1.2677 -1.0098 C.2 1 UNL1 -0.2744 27 C -2.8151 0.5330 -2.5479 C.2 1 UNL1 0.0043 28 C -3.9215 1.0736 -1.9894 C.2 1 UNL1 0.0107 29 C -4.3620 0.8393 -0.8192 C.2 1 UNL1 -0.0636 30 C -3.9322 0.0798 0.2780 C.3 1 UNL1 0.2298 31 C -2.9630 -0.8632 -0.0768 C.2 1 UNL1 0.0463 32 C -2.0845 -0.4043 -2.1277 C.2 1 UNL1 -0.0239 33 N -4.2890 0.3185 1.5688 N.1 1 UNL1 -0.5114 34 C -4.5572 0.5448 2.7030 C.1 1 UNL1 0.3662 35 O -1.6581 1.4071 0.2818 O.2 1 UNL1 -0.4335 36 C 4.6526 -0.6823 0.8620 C.2 1 UNL1 0.5512 @BOND 1 13 14 2 2 13 12 1 3 27 32 2 4 27 28 1 5 16 12 1 6 16 15 1 7 14 10 1 8 12 11 1 9 32 26 1 10 28 29 2 11 15 9 1 12 11 10 1 13 11 9 1 14 26 25 1 15 26 31 2 16 25 23 1 17 10 8 1 18 10 3 1 19 29 30 1 20 8 7 2 21 9 6 1 22 9 4 1 23 3 17 2 24 3 2 1 25 31 30 1 26 23 22 1 27 7 6 1 28 30 33 1 29 35 2 2 30 6 36 2 31 2 1 1 32 4 21 1 33 4 5 1 34 22 21 1 35 22 24 2 36 5 1 1 37 33 34 3 38 1 19 1 39 1 18 1 40 19 20 2 41 19 18 1