@<TRIPOS>MOLECULE
BindingDB_15670
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.6404   32.6250   59.1714  C     
2    C         7.4165   34.5347   59.3007  C     
3    C         8.6869   34.9961   59.7740  C     
4    N         7.3603   33.2420   59.0184  N     
5    C         6.1503   32.5248   58.6303  C     
6    C         6.2253   30.0263   59.4512  C     
7    C         6.0799   29.5552   57.9845  C     
8    C         6.8046   30.5342   57.0328  C     
9    C         6.2304   31.9721   57.1716  C     
10   C         5.6504   31.4525   59.6572  C     
11   O         6.4716   35.3105   59.2284  O     
12   C         9.6010   33.7465   59.6589  C     
13   C        10.3417   33.4318   60.8838  C     
14   O         9.7537   32.8608   61.8008  O     
15   N        11.6172   33.8022   61.0193  N     
16   C        12.4691   33.4790   62.0464  C     
17   C        14.3695   34.0827   63.4544  C     
18   C        13.4615   34.4121   62.4423  C     
19   C        12.4223   32.2367   62.7190  C     
20   C        13.3265   31.8807   63.7396  C     
21   C        13.2114   30.5348   64.3778  C     
22   C        14.3185   32.8352   64.1164  C     
23   Br       15.6492   32.5007   65.3775  Br    
24   H         8.5900   31.7977   59.8850  H     
25   H         8.9911   32.2449   58.2121  H     
26   H         9.0549   35.8114   59.1439  H     
27   H         8.5609   35.3535   60.8037  H     
28   H         5.3386   33.2593   58.5959  H     
29   H         5.6947   29.3295   60.1025  H     
30   H         7.2783   30.0122   59.7344  H     
31   H         6.5147   28.5538   57.8769  H     
32   H         5.0147   29.5012   57.7096  H     
33   H         7.8731   30.5167   57.2529  H     
34   H         6.6874   30.1957   55.9967  H     
35   H         5.2166   31.9588   56.7564  H     
36   H         6.8237   32.6503   56.5523  H     
37   H         5.8839   31.7800   60.6775  H     
38   H         4.5549   31.3852   59.5849  H     
39   H        10.3290   33.9365   58.8500  H     
40   H        11.9788   34.3763   60.3187  H     
41   H        15.0915   34.7552   63.7241  H     
42   H        13.5184   35.3321   61.9936  H     
43   H        11.7206   31.5430   62.4285  H     
44   H        12.1684   30.3058   64.6212  H     
45   H        13.7796   30.4293   65.3031  H     
46   H        13.5658   29.7749   63.6776  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   22 1
    22   19   20 1
    23   20   21 1
    24   20   22 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   18   42 1
    45   19   43 1
    46   21   44 1
    47   21   45 1
    48   21   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2000
  Crash		| -1.6833
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.126