@<TRIPOS>MOLECULE
BindingDB_50200394
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.2904   26.4128   -4.0235  C     
2    C        -4.5835   33.5045   -1.4223  C     
3    C        -3.6905   33.0886   -0.3529  C     
4    C        -3.8399   32.0619   -7.6706  C     
5    C        -5.8015   30.5847   -7.7396  C     
6    N        -3.6991   31.8376   -9.0043  N     
7    N        -5.5581   30.4129   -9.0631  N     
8    N        -4.3537   33.7086   -2.7086  N     
9    C        -4.9577   31.4731   -7.0364  C     
10   C        -2.2196   32.6607   -0.5173  C     
11   C        -2.5596   34.0799   -0.0462  C     
12   C        -7.8058   27.7986   -4.2773  C     
13   C        -4.5405   31.0389   -9.7057  C     
14   N        -2.8661   32.8369   -7.1123  N     
15   N        -6.7864   29.8102   -7.2090  N     
16   C        -3.2333   33.7447   -3.4789  C     
17   C        -7.5241   28.2218   -5.6016  C     
18   O        -5.7602   33.6439   -1.1221  O     
19   C        -3.2890   32.9581   -4.6497  C     
20   C        -2.6434   33.3495   -5.8478  C     
21   C        -7.0642   29.5278   -5.8927  C     
22   F        -8.5955   26.1536   -2.7081  F     
23   F        -9.4269   26.1650   -4.7495  F     
24   F        -7.3375   25.5030   -4.4058  F     
25   C        -7.6035   28.7220   -3.2249  C     
26   C        -7.1863   30.0328   -3.4948  C     
27   C        -1.5257   35.1175   -4.5473  C     
28   C        -2.3223   34.8250   -3.4228  C     
29   C        -1.7172   34.4154   -5.7528  C     
30   C        -6.9560   30.4425   -4.8187  C     
31   H        -4.1602   32.7293    0.5660  H     
32   H        -5.1657   33.7592   -3.2379  H     
33   H        -5.1789   31.6929   -6.0857  H     
34   H        -1.8321   31.9957    0.2559  H     
35   H        -1.8255   32.5701   -1.5276  H     
36   H        -2.4196   34.8634   -0.7838  H     
37   H        -2.3938   34.3005    1.0095  H     
38   H        -4.3917   30.8886  -10.7037  H     
39   H        -2.2171   33.1398   -7.7659  H     
40   H        -7.2024   29.2076   -7.8476  H     
41   H        -7.6450   27.5570   -6.3694  H     
42   H        -3.8444   32.1115   -4.6087  H     
43   H        -7.7700   28.4572   -2.2519  H     
44   H        -7.0565   30.6879   -2.7234  H     
45   H        -0.8660   35.8972   -4.5087  H     
46   H        -2.2547   35.4397   -2.5995  H     
47   H        -1.1951   34.7202   -6.5784  H     
48   H        -6.7224   31.4194   -4.9831  H     
@<TRIPOS>BOND
     1    1   12 1
     2    1   22 1
     3    1   23 1
     4    1   24 1
     5    2    3 1
     6    2    8 am
     7    2   18 2
     8    3   10 1
     9    3   11 1
    10    4    6 1
    11    4    9 2
    12    4   14 1
    13    5    7 2
    14    5    9 1
    15    5   15 1
    16    6   13 2
    17    7   13 1
    18    8   16 1
    19   10   11 1
    20   12   17 2
    21   12   25 1
    22   14   20 1
    23   15   21 1
    24   16   19 2
    25   16   28 1
    26   17   21 1
    27   19   20 1
    28   20   29 2
    29   21   30 2
    30   25   26 2
    31   26   30 1
    32   27   28 2
    33   27   29 1
    34    3   31 1
    35    8   32 1
    36    9   33 1
    37   10   34 1
    38   10   35 1
    39   11   36 1
    40   11   37 1
    41   13   38 1
    42   14   39 1
    43   15   40 1
    44   17   41 1
    45   19   42 1
    46   25   43 1
    47   26   44 1
    48   27   45 1
    49   28   46 1
    50   29   47 1
    51   30   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0183
  Crash		| -2.1000
  Polar		| 2.6652
  FragIndex	| 1
  FragRMSD	| 1.192