@MOLECULE 13-(difluoromethyl)-10-oxo-BLAHe-9-carboxylic acid 27 29 0 0 0 SMALL USER_CHARGES @ATOM 1 F -0.1243 3.2566 1.0103 F 1 UNL11111111 -0.1952 2 F -0.2526 3.1684 -1.0903 F 1 UNL11111111 -0.1881 3 O -4.0392 0.1767 0.1657 O.3 1 UNL11111111 -0.3237 4 O -3.5806 -2.1336 0.0062 O.3 1 UNL11111111 -0.3156 5 O 1.5029 -2.5922 -0.4344 O.2 1 UNL11111111 -0.4130 6 O 3.9157 -2.0546 0.5194 O.3 1 UNL11111111 -0.4840 7 O 4.6663 -0.0494 -0.1018 O.2 1 UNL11111111 -0.5519 8 N 0.7097 1.3779 -0.0195 N.4 1 UNL11111111 -0.4111 9 C -0.3786 0.4708 -0.0201 C.3 1 UNL11111111 0.2422 10 C -0.1021 -0.9054 -0.1076 C.3 1 UNL11111111 -0.2293 11 C -2.6928 -0.0245 0.0762 C.3 1 UNL11111111 0.2051 12 C -1.7150 0.9370 0.0782 C.3 1 UNL11111111 -0.2930 13 C -2.4121 -1.4125 -0.0185 C.3 1 UNL11111111 0.0705 14 C -1.1304 -1.8751 -0.1128 C.3 1 UNL11111111 -0.0865 15 C 1.2810 -1.4296 -0.1989 C.2 1 UNL11111111 0.5048 16 C 2.0085 0.9094 0.0307 C.3 1 UNL11111111 0.1750 17 C 2.3176 -0.4156 -0.0100 C.3 1 UNL11111111 -0.3693 18 C 0.5502 2.8347 -0.0700 C.3 1 UNL11111111 0.4324 19 C -4.6296 -1.1485 0.1261 C.3 1 UNL11111111 0.1543 20 C 3.7269 -0.7862 0.1027 C.2 1 UNL11111111 0.6694 21 H -1.9997 1.9801 0.1604 H 1 UNL11111111 0.1990 22 H -0.8836 -2.9386 -0.1902 H 1 UNL11111111 0.2067 23 H 2.8096 1.6689 0.1075 H 1 UNL11111111 0.1862 24 H 1.5554 3.3678 -0.1540 H 1 UNL11111111 0.1776 25 H -5.2536 -1.2060 -0.7766 H 1 UNL11111111 0.1460 26 H -5.1411 -1.3119 1.0848 H 1 UNL11111111 0.1456 27 H 4.8780 -2.3000 0.5651 H 1 UNL11111111 0.3460 @BOND 1 2 18 1 2 25 19 1 3 5 15 2 4 15 10 1 5 15 17 1 6 22 14 1 7 24 18 1 8 14 10 1 9 14 13 1 10 10 9 1 11 7 20 2 12 18 8 1 13 18 1 1 14 9 8 1 15 9 12 1 16 8 16 1 17 13 4 1 18 13 11 1 19 17 16 1 20 17 20 1 21 4 19 1 22 16 23 1 23 11 12 1 24 11 3 1 25 12 21 1 26 20 6 1 27 19 3 1 28 19 26 1 29 6 27 1