@<TRIPOS>MOLECULE
BindingDB_91880
 60 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.3666    3.2855  -24.2347  C     
2    C         3.3113    3.2868  -22.9935  C     
3    C         4.0378    4.6525  -22.7851  C     
4    C         3.1055    5.7652  -22.2391  C     
5    C         2.3507    5.3319  -20.9472  C     
6    N         1.3096    6.3373  -20.5848  N     
7    C         1.7513    7.5829  -19.9230  C     
8    C         0.5601    8.4478  -19.7630  C     
9    C        -0.4929    8.0550  -18.8926  C     
10   C        -1.6832    8.7966  -18.8462  C     
11   C        -2.9057    8.5052  -18.0758  C     
12   C        -3.7655    9.6088  -18.5449  C     
13   C        -3.0963   10.4304  -19.4213  C     
14   N        -3.9202   11.4270  -19.8027  N     
15   N        -5.0464   11.2497  -19.1884  N     
16   C        -5.0375   10.1438  -18.3910  C     
17   C        -6.1344    9.6895  -17.6154  C     
18   C        -6.1896    8.3685  -17.1027  C     
19   C        -7.2761    7.9255  -16.3173  C     
20   C        -7.3290    6.5489  -15.7701  C     
21   C        -8.3293    8.8229  -16.0376  C     
22   C        -8.3126   10.1343  -16.5540  C     
23   C        -9.4248   11.0751  -16.2898  C     
24   C        -7.2159   10.5540  -17.3392  C     
25   C        -1.8317    9.9449  -19.6444  C     
26   C        -0.7993   10.3750  -20.4999  C     
27   C         0.3835    9.6225  -20.5656  C     
28   C         1.6342    3.9644  -21.1288  C     
29   C         2.5851    2.8648  -21.6781  C     
30   H         2.9306    3.5153  -25.1460  H     
31   H         1.9160    2.2955  -24.3560  H     
32   H         1.5690    4.0228  -24.1230  H     
33   H         4.0814    2.5332  -23.1922  H     
34   H         4.4909    4.9844  -23.7308  H     
35   H         4.8511    4.5040  -22.0587  H     
36   H         3.7074    6.6530  -22.0411  H     
37   H         2.3848    6.0291  -23.0105  H     
38   H         3.0740    5.2371  -20.1305  H     
39   H         0.8190    6.5938  -21.4469  H     
40   H         0.6293    5.8740  -19.9697  H     
41   H         2.1678    7.3445  -18.9299  H     
42   H         2.5237    8.0874  -20.5195  H     
43   H        -0.4061    7.2084  -18.3228  H     
44   H        -3.3152    7.5315  -18.3544  H     
45   H        -2.7340    8.5731  -16.9974  H     
46   H        -5.4552    7.6993  -17.3342  H     
47   H        -8.2301    6.0415  -16.1209  H     
48   H        -6.4677    5.9513  -16.0763  H     
49   H        -7.3481    6.5895  -14.6792  H     
50   H        -9.1043    8.5161  -15.4425  H     
51   H        -9.0560   11.9348  -15.7298  H     
52   H        -9.8365   11.4198  -17.2395  H     
53   H       -10.2318   10.6209  -15.7138  H     
54   H        -7.1959   11.5204  -17.6846  H     
55   H        -0.9330   11.2037  -21.0897  H     
56   H         1.1224    9.9172  -21.2099  H     
57   H         1.2488    3.6318  -20.1541  H     
58   H         0.7772    4.0869  -21.8099  H     
59   H         2.0160    1.9479  -21.8445  H     
60   H         3.3393    2.6451  -20.9139  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    4    5 1
     5    5    6 1
     6    6    7 1
     7    7    8 1
     8    8    9 ar
     9    9   10 ar
    10   10   11 1
    11   11   12 1
    12   12   13 ar
    13   13   14 ar
    14   14   15 ar
    15   15   16 ar
    16   12   16 ar
    17   16   17 1
    18   17   18 ar
    19   18   19 ar
    20   19   20 1
    21   19   21 ar
    22   21   22 ar
    23   22   23 1
    24   22   24 ar
    25   17   24 ar
    26   10   25 ar
    27   13   25 1
    28   25   26 ar
    29   26   27 ar
    30    8   27 ar
    31    5   28 1
    32   28   29 1
    33    2   29 1
    34    1   30 1
    35    1   31 1
    36    1   32 1
    37    2   33 1
    38    3   34 1
    39    3   35 1
    40    4   36 1
    41    4   37 1
    42    5   38 1
    43    6   39 1
    44    6   40 1
    45    7   41 1
    46    7   42 1
    47    9   43 1
    48   11   44 1
    49   11   45 1
    50   18   46 1
    51   20   47 1
    52   20   48 1
    53   20   49 1
    54   21   50 1
    55   23   51 1
    56   23   52 1
    57   23   53 1
    58   24   54 1
    59   26   55 1
    60   27   56 1
    61   28   57 1
    62   28   58 1
    63   29   59 1
    64   29   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0944
  Crash		| -1.3782
  Polar		| 2.0989
  FragIndex	| 1
  FragRMSD	| 0.360