@<TRIPOS>MOLECULE
BindingDB_7128
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.6026   45.9815   22.3737  C     
2    C        12.8082   45.9037   23.5044  C     
3    C        11.6318   46.5956   23.2099  C     
4    N        12.9092   46.6809   21.4660  N     
5    N        11.7617   47.0518   21.9523  N     
6    N        10.5320   46.8560   23.9589  N     
7    C        10.2294   46.4363   25.1845  C     
8    O        10.9339   45.5910   25.7232  O     
9    C        14.9670   45.4594   22.2001  C     
10   C        15.3886   44.1220   22.8310  C     
11   C        15.0755   44.1948   21.3337  C     
12   C         9.1029   46.9128   25.8645  C     
13   C         8.5139   48.1705   25.5485  C     
14   C         8.5146   46.1650   26.9256  C     
15   C         7.3803   46.6360   27.6072  C     
16   C         6.8113   47.8763   27.2690  C     
17   C         7.3885   48.6485   26.2388  C     
18   Br        5.3017   48.4845   28.1696  Br    
19   H        13.0708   45.4564   24.3804  H     
20   H        13.2283   46.9008   20.5769  H     
21   H         9.8803   47.4356   23.5351  H     
22   H        15.7712   46.1645   21.9976  H     
23   H        16.4477   44.0096   23.0784  H     
24   H        14.6461   43.6047   23.4430  H     
25   H        14.1623   43.6742   21.0538  H     
26   H        15.9513   44.0892   20.6986  H     
27   H         8.9162   48.7749   24.8243  H     
28   H         8.8983   45.2524   27.1956  H     
29   H         6.9638   46.0729   28.3534  H     
30   H         6.9976   49.5579   26.0006  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20   16   18 1
    21    2   19 1
    22    4   20 1
    23    6   21 1
    24    9   22 1
    25   10   23 1
    26   10   24 1
    27   11   25 1
    28   11   26 1
    29   13   27 1
    30   14   28 1
    31   15   29 1
    32   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3518
  Crash		| -0.5120
  Polar		| 3.3072
  FragIndex	| 1
  FragRMSD	| 0.526