@<TRIPOS>MOLECULE
BindingDB_11432
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.5579  -10.1285   11.6224  C     
2    C        12.0154   -9.3015   10.6464  C     
3    C        13.1333   -8.4818   10.8982  C     
4    C        13.1635   -9.2540   13.1119  C     
5    C        13.5646   -9.4436   14.4158  C     
6    C        12.7091  -10.4121   14.9107  C     
7    N        10.7320  -11.1536   11.3642  N     
8    C         9.7094  -11.2933   10.4832  C     
9    C         9.2849  -12.6169   10.2071  C     
10   C         9.0232  -10.2298    9.8450  C     
11   C         7.9791  -10.4847    8.9360  C     
12   C         7.6113  -11.8135    8.6216  C     
13   C         8.2695  -12.8771    9.2735  C     
14   S         6.3644  -12.1323    7.4469  S     
15   O         6.1628  -13.6945    7.2206  O     
16   O         4.9531  -11.7542    8.0698  O     
17   N         6.4849  -11.3397    5.9559  N     
18   C         6.5580   -9.9073    5.9266  C     
19   C         6.9732  -12.0773    4.8265  C     
20   N        12.1357  -10.0944   12.8497  N     
21   N        13.6732   -8.4565   12.1481  N     
22   N        11.8654  -10.7799   13.9262  N     
23   N        13.8452   -7.8159    9.9486  N     
24   C        13.6876   -7.8626    8.5169  C     
25   C        12.3976   -7.1109    8.0476  C     
26   C        13.8685   -9.3150    7.9572  C     
27   C        13.5027   -9.4278    6.4530  C     
28   C        12.1296   -8.7848    6.1302  C     
29   C        12.1196   -7.2874    6.5350  C     
30   N        11.8052   -8.9240    4.7019  N     
31   Br       14.9817   -8.5964   15.2677  Br    
32   H        11.7129   -9.3776    9.6773  H     
33   H        12.7143  -10.7824   15.8618  H     
34   H        10.9332  -11.9641   11.8668  H     
35   H         9.7520  -13.4091   10.6561  H     
36   H         9.2610   -9.2605   10.0731  H     
37   H         7.4899   -9.6920    8.5070  H     
38   H         8.0170  -13.8491    9.0666  H     
39   H         6.0694   -9.4480    6.7867  H     
40   H         6.0659   -9.5177    5.0302  H     
41   H         7.6051   -9.5949    5.9202  H     
42   H         8.0256  -12.3253    4.9761  H     
43   H         6.8856  -11.5070    3.8965  H     
44   H         6.4095  -13.0011    4.6914  H     
45   H        14.6256   -7.3305   10.2754  H     
46   H        14.5321   -7.2864    8.1208  H     
47   H        11.5220   -7.4412    8.6090  H     
48   H        12.5163   -6.0403    8.2510  H     
49   H        14.9174   -9.5900    8.0556  H     
50   H        13.2985  -10.0580    8.5737  H     
51   H        14.2725   -8.9296    5.8536  H     
52   H        13.4739  -10.4819    6.1683  H     
53   H        11.3519   -9.3209    6.6936  H     
54   H        11.1501   -6.8532    6.2924  H     
55   H        12.8822   -6.7415    5.9679  H     
56   H        12.5061   -8.4437    4.1332  H     
57   H        10.8857   -8.5183    4.5198  H     
58   H        11.7897   -9.9156    4.4562  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   31 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   30 1
    35    2   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   13   38 1
    42   18   39 1
    43   18   40 1
    44   18   41 1
    45   19   42 1
    46   19   43 1
    47   19   44 1
    48   23   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   26   49 1
    53   26   50 1
    54   27   51 1
    55   27   52 1
    56   28   53 1
    57   29   54 1
    58   29   55 1
    59   30   56 1
    60   30   57 1
    61   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4298
  Crash		| -3.2160
  Polar		| 3.4655
  FragIndex	| 1
  FragRMSD	| 0.810