@<TRIPOS>MOLECULE
BindingDB_11457
 38 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.5212   -8.9576   10.5037  C     
2    C        10.9548   -9.8144   11.4770  C     
3    C        12.8372   -8.4657   10.6980  C     
4    N        13.5439   -8.8266   11.8026  N     
5    N         9.7033  -10.3478   11.4116  N     
6    C         8.6868  -10.2240   10.4145  C     
7    C         8.4571  -11.4675    9.6234  C     
8    C         8.7923  -13.8389    9.1264  C     
9    C         9.0641  -12.7144    9.9259  C     
10   C         7.5878  -11.4060    8.5091  C     
11   C         7.3513  -12.5529    7.7375  C     
12   N         7.9593  -13.7217    8.0663  N     
13   C        13.4447   -7.6043    9.7602  C     
14   C        14.2838   -7.1703    7.5041  C     
15   C        13.6760   -8.0335    8.4330  C     
16   C        13.8169   -6.2960   10.1396  C     
17   C        14.4112   -5.4312    9.2048  C     
18   C        14.6503   -5.8701    7.8913  C     
19   Br       14.6262   -7.7605    5.7750  Br    
20   C        12.9922   -9.6646   12.7101  C     
21   C        12.5676  -10.9424   14.3515  C     
22   N        11.7380  -10.1460   12.5404  N     
23   N        11.4929  -10.9261   13.5439  N     
24   N        13.5238  -10.1527   13.8369  N     
25   H        10.9973   -8.6812    9.6706  H     
26   H         9.4733  -10.9506   12.1358  H     
27   H         7.7546   -9.9817   10.9296  H     
28   H         8.8957   -9.3930    9.7385  H     
29   H         9.2206  -14.7357    9.3357  H     
30   H         9.7010  -12.8127   10.7231  H     
31   H         7.1383  -10.5272    8.2456  H     
32   H         6.7355  -12.5146    6.9296  H     
33   H        13.4117   -8.9810    8.1398  H     
34   H        13.6335   -5.9564   11.0913  H     
35   H        14.6725   -4.4840    9.4852  H     
36   H        15.0983   -5.2443    7.2209  H     
37   H        12.6470  -11.4710   15.2186  H     
38   H        10.6693  -11.4247   13.6674  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    2    5 1
     4    2   22 1
     5    3    4 2
     6    3   13 1
     7    4   20 1
     8    5    6 1
     9    6    7 1
    10    7    9 1
    11    7   10 2
    12    8    9 2
    13    8   12 1
    14   10   11 1
    15   11   12 2
    16   13   15 2
    17   13   16 1
    18   14   15 1
    19   14   18 2
    20   14   19 1
    21   16   17 2
    22   17   18 1
    23   20   22 2
    24   20   24 1
    25   21   23 1
    26   21   24 2
    27   22   23 1
    28    1   25 1
    29    5   26 1
    30    6   27 1
    31    6   28 1
    32    8   29 1
    33    9   30 1
    34   10   31 1
    35   11   32 1
    36   15   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   21   37 1
    41   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2097
  Crash		| -1.0056
  Polar		| 3.1364
  FragIndex	| 1
  FragRMSD	| 0.467