@MOLECULE (17R)-11-fluoro-17-(fluoromethyl)-14-(4-methylpiperazin-1-yl)-16-oxo-BLAHe-12-carboxylic acid 46 49 0 0 0 SMALL USER_CHARGES @ATOM 1 S -1.2132 1.8679 -0.6294 S.3 1 UNL11111111 0.1585 2 F -1.7746 -2.9867 0.5269 F 1 UNL11111111 -0.1432 3 F 2.4109 3.1407 1.7557 F 1 UNL11111111 -0.1960 4 O 3.1461 -2.7232 0.3808 O.2 1 UNL11111111 -0.4107 5 O 5.5416 -1.9339 -0.2169 O.3 1 UNL11111111 -0.4810 6 O 5.9138 0.2368 -0.5388 O.2 1 UNL11111111 -0.5676 7 N -2.7867 -0.3103 -0.0267 N.3 1 UNL11111111 -0.4304 8 N 1.8519 1.0789 -0.3470 N.4 1 UNL11111111 -0.3377 9 N -5.6325 -0.3440 0.0260 N.3 1 UNL11111111 -0.3970 10 C 1.4708 2.5076 -0.3086 C.3 1 UNL11111111 0.0490 11 C -3.5423 -0.9422 -1.1361 C.3 1 UNL11111111 -0.1035 12 C -3.5039 -0.4870 1.2599 C.3 1 UNL11111111 -0.1030 13 C -1.4119 -0.7113 0.0253 C.3 1 UNL11111111 0.1329 14 C 0.8956 0.0604 -0.1561 C.3 1 UNL11111111 0.1751 15 C -0.4882 0.3111 -0.2240 C.3 1 UNL11111111 -0.1891 16 C -4.8945 -0.1973 -1.2538 C.3 1 UNL11111111 -0.1228 17 C -4.8537 0.2616 1.1354 C.3 1 UNL11111111 -0.1239 18 C 0.2685 2.7651 -1.2084 C.3 1 UNL11111111 -0.3962 19 C 1.3453 -1.2513 0.0879 C.3 1 UNL11111111 -0.1882 20 C -0.9237 -2.0008 0.2947 C.3 1 UNL11111111 0.0778 21 C 3.1886 0.7811 -0.3647 C.3 1 UNL11111111 0.1968 22 C 0.4342 -2.2821 0.3152 C.3 1 UNL11111111 -0.1032 23 C 1.2085 2.9453 1.1566 C.3 1 UNL11111111 -0.0949 24 C 2.7951 -1.6005 0.1110 C.2 1 UNL11111111 0.5043 25 C 3.6779 -0.4884 -0.2015 C.3 1 UNL11111111 -0.4133 26 C -6.9671 0.2842 -0.0711 C.3 1 UNL11111111 -0.2848 27 C 5.1194 -0.6566 -0.3305 C.2 1 UNL11111111 0.6781 28 H 2.3400 3.1073 -0.7174 H 1 UNL11111111 0.1697 29 H -3.7289 -2.0255 -0.9726 H 1 UNL11111111 0.1443 30 H -2.9654 -0.8324 -2.0779 H 1 UNL11111111 0.1434 31 H -2.8983 -0.0465 2.0787 H 1 UNL11111111 0.1416 32 H -3.6962 -1.5523 1.5110 H 1 UNL11111111 0.1450 33 H -4.7153 0.8633 -1.5311 H 1 UNL11111111 0.1289 34 H -5.4976 -0.6615 -2.0624 H 1 UNL11111111 0.1391 35 H -5.4285 0.1375 2.0773 H 1 UNL11111111 0.1388 36 H -4.6687 1.3474 0.9921 H 1 UNL11111111 0.1283 37 H 0.0141 3.8418 -1.2415 H 1 UNL11111111 0.1769 38 H 0.4943 2.4741 -2.2545 H 1 UNL11111111 0.1801 39 H 3.8847 1.6283 -0.5324 H 1 UNL11111111 0.1956 40 H 0.8079 -3.2984 0.5096 H 1 UNL11111111 0.2119 41 H 0.6461 2.1730 1.7349 H 1 UNL11111111 0.1658 42 H 0.6286 3.8957 1.1946 H 1 UNL11111111 0.1499 43 H -6.9519 1.3646 -0.2763 H 1 UNL11111111 0.1186 44 H -7.5122 0.1138 0.8725 H 1 UNL11111111 0.1476 45 H -7.5411 -0.2166 -0.8687 H 1 UNL11111111 0.1477 46 H 6.5287 -2.0099 -0.3036 H 1 UNL11111111 0.3409 @BOND 1 38 18 1 2 30 11 1 3 34 16 1 4 33 16 1 5 16 11 1 6 16 9 1 7 37 18 1 8 18 1 1 9 18 10 1 10 11 29 1 11 11 7 1 12 45 26 1 13 28 10 1 14 1 15 1 15 6 27 2 16 39 21 1 17 21 8 1 18 21 25 1 19 8 10 1 20 8 14 1 21 27 5 1 22 27 25 1 23 10 23 1 24 46 5 1 25 43 26 1 26 15 14 1 27 15 13 1 28 25 24 1 29 14 19 1 30 26 9 1 31 26 44 1 32 7 13 1 33 7 12 1 34 13 20 1 35 9 17 1 36 19 24 1 37 19 22 1 38 24 4 2 39 20 22 1 40 20 2 1 41 22 40 1 42 36 17 1 43 17 12 1 44 17 35 1 45 23 42 1 46 23 41 1 47 23 3 1 48 12 32 1 49 12 31 1