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


@<TRIPOS>ATOM
1    C        11.7102  -10.6399   11.4752  C     
2    C        12.3929  -10.1430   10.4169  C     
3    C        13.4476   -9.2300   10.6005  C     
4    C        13.3257   -9.6717   12.9089  C     
5    C        13.5764   -9.6188   14.2640  C     
6    C        12.5827  -10.3922   14.8383  C     
7    N        10.5835  -11.3673   11.3249  N     
8    C         9.6735  -11.3425   10.3082  C     
9    C         8.7841  -12.4339   10.1830  C     
10   C         9.5661  -10.2891    9.3644  C     
11   C         8.7181  -10.3894    8.2540  C     
12   C         7.8788  -11.5103    8.1041  C     
13   C         7.8981  -12.5186    9.0920  C     
14   S         6.8772  -11.6667    6.6800  S     
15   O         7.6094  -12.7938    5.8183  O     
16   O         5.4571  -12.3050    7.0082  O     
17   N         6.6657  -10.2657    5.7422  N     
18   C         6.3823  -10.4097    4.3436  C     
19   C         6.2059   -9.0930    6.4390  C     
20   N        12.2247  -10.4387   12.7141  N     
21   N        13.9189   -9.0304   11.8660  N     
22   N        11.7841  -10.8686   13.8621  N     
23   N        13.9646   -8.4286    9.6357  N     
24   C        13.4733   -8.2077    8.2975  C     
25   C        14.5997   -8.4167    7.2504  C     
26   C        12.8381   -6.7914    8.1777  C     
27   C        13.8887   -5.6500    8.1684  C     
28   C        15.0067   -5.8782    7.1150  C     
29   C        15.6530   -7.2822    7.2782  C     
30   N        14.4932   -5.6974    5.7485  N     
31   Br       14.9059   -8.6380   15.1151  Br    
32   H        12.1365  -10.4222    9.5018  H     
33   H        12.4494  -10.5415   15.8361  H     
34   H        10.3826  -11.9940   12.0392  H     
35   H         8.8184  -13.2029   10.8545  H     
36   H        10.1300   -9.4417    9.4548  H     
37   H         8.7385   -9.6437    7.5543  H     
38   H         7.2919  -13.3341    9.0033  H     
39   H         7.0600  -11.1341    3.8782  H     
40   H         6.5076   -9.4647    3.8107  H     
41   H         5.3562  -10.7577    4.2120  H     
42   H         5.1650   -9.2278    6.7415  H     
43   H         6.2833   -8.2000    5.8098  H     
44   H         6.7880   -8.9036    7.3322  H     
45   H        14.6762   -7.8373    9.9248  H     
46   H        12.6915   -8.9182    8.0402  H     
47   H        15.0953   -9.3726    7.4264  H     
48   H        14.1570   -8.4651    6.2500  H     
49   H        12.2615   -6.7407    7.2482  H     
50   H        12.1379   -6.6294    9.0018  H     
51   H        13.3919   -4.6956    7.9716  H     
52   H        14.3479   -5.5829    9.1612  H     
53   H        15.7833   -5.1228    7.2629  H     
54   H        16.1954   -7.3189    8.2268  H     
55   H        16.3748   -7.4445    6.4772  H     
56   H        13.7132   -6.3367    5.5796  H     
57   H        15.2390   -5.8942    5.0817  H     
58   H        14.1751   -4.7329    5.6300  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	| 9.2111
  Crash		| -3.1825
  Polar		| 5.4146
  FragIndex	| 1
  FragRMSD	| 0.771