@MOLECULE 11-fluoro-14-(4-methylpiperazin-1-yl)-16-oxo-BLAHe-12-carboxylic acid 43 46 0 0 0 SMALL USER_CHARGES @ATOM 1 S -1.1348 -2.1481 0.0788 S.3 1 UNL11111111 0.1560 2 F -1.4785 2.8672 -0.0295 F 1 UNL11111111 -0.1436 3 O 3.4358 2.3410 -0.1441 O.2 1 UNL11111111 -0.4161 4 O 5.7655 1.2976 0.4529 O.3 1 UNL11111111 -0.4830 5 O 6.0597 -0.8497 -0.0535 O.2 1 UNL11111111 -0.5724 6 N -2.6170 0.1873 -0.0068 N.3 1 UNL11111111 -0.4300 7 N -5.4572 0.3681 0.0418 N.3 1 UNL11111111 -0.3977 8 N 1.9458 -1.4501 -0.1899 N.4 1 UNL11111111 -0.3173 9 C -3.3531 0.6476 -1.2097 C.3 1 UNL11111111 -0.1026 10 C -3.3118 0.6213 1.2297 C.3 1 UNL11111111 -0.1018 11 C -4.7386 -0.0441 -1.1901 C.3 1 UNL11111111 -0.1226 12 C -4.6988 -0.0674 1.2415 C.3 1 UNL11111111 -0.1227 13 C -1.2243 0.5231 -0.0285 C.3 1 UNL11111111 0.1300 14 C -0.3505 -0.5707 -0.0346 C.3 1 UNL11111111 -0.1784 15 C 1.0420 -0.3724 -0.1065 C.3 1 UNL11111111 0.1699 16 C 1.5567 0.9378 -0.0779 C.3 1 UNL11111111 -0.1858 17 C 1.4679 -2.8135 -0.4894 C.3 1 UNL11111111 -0.0763 18 C -0.6741 1.8169 -0.0391 C.3 1 UNL11111111 0.0810 19 C 0.3195 -3.2011 0.4288 C.3 1 UNL11111111 -0.3798 20 C 0.6954 2.0345 -0.0471 C.3 1 UNL11111111 -0.1079 21 C -6.8229 -0.1975 0.0589 C.3 1 UNL11111111 -0.2848 22 C 3.2918 -1.2380 -0.1135 C.3 1 UNL11111111 0.1840 23 C 3.0226 1.2086 -0.0774 C.2 1 UNL11111111 0.5055 24 C 3.8471 0.0126 -0.0161 C.3 1 UNL11111111 -0.4187 25 C 5.2962 0.0805 0.1054 C.2 1 UNL11111111 0.6805 26 H -3.4921 1.7495 -1.2419 H 1 UNL11111111 0.1445 27 H -2.7905 0.3461 -2.1174 H 1 UNL11111111 0.1416 28 H -2.7201 0.2975 2.1112 H 1 UNL11111111 0.1432 29 H -3.4448 1.7227 1.2908 H 1 UNL11111111 0.1433 30 H -5.3272 0.2908 -2.0699 H 1 UNL11111111 0.1380 31 H -4.6091 -1.1445 -1.2681 H 1 UNL11111111 0.1287 32 H -4.5692 -1.1694 1.2949 H 1 UNL11111111 0.1295 33 H -5.2579 0.2527 2.1457 H 1 UNL11111111 0.1378 34 H 2.3111 -3.5374 -0.3734 H 1 UNL11111111 0.1556 35 H 1.1671 -2.8620 -1.5672 H 1 UNL11111111 0.1669 36 H 0.0137 -4.2521 0.2692 H 1 UNL11111111 0.1740 37 H 0.6050 -3.1190 1.4950 H 1 UNL11111111 0.1754 38 H 1.1171 3.0502 -0.0340 H 1 UNL11111111 0.2113 39 H -7.3492 0.1644 0.9581 H 1 UNL11111111 0.1472 40 H -6.8645 -1.2964 0.0478 H 1 UNL11111111 0.1186 41 H -7.3786 0.1838 -0.8142 H 1 UNL11111111 0.1472 42 H 3.9419 -2.1348 -0.1359 H 1 UNL11111111 0.1907 43 H 6.7572 1.3130 0.5120 H 1 UNL11111111 0.3413 @BOND 1 27 9 1 2 30 11 1 3 35 17 1 4 31 11 1 5 26 9 1 6 9 11 1 7 9 6 1 8 11 7 1 9 41 21 1 10 17 34 1 11 17 8 1 12 17 19 1 13 8 22 1 14 8 15 1 15 3 23 2 16 42 22 1 17 22 24 1 18 15 16 1 19 15 14 1 20 16 23 1 21 16 20 1 22 23 24 1 23 5 25 2 24 20 18 1 25 20 38 1 26 18 2 1 27 18 13 1 28 14 13 1 29 14 1 1 30 13 6 1 31 24 25 1 32 6 10 1 33 7 21 1 34 7 12 1 35 40 21 1 36 21 39 1 37 1 19 1 38 25 4 1 39 36 19 1 40 19 37 1 41 4 43 1 42 10 12 1 43 10 29 1 44 10 28 1 45 12 32 1 46 12 33 1