@<TRIPOS>MOLECULE
BindingDB_91888
 62 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.2338    2.9058  -24.1821  C     
2    C         2.3385    3.6615  -22.8212  C     
3    C         3.7437    3.4779  -22.1686  C     
4    C         3.9307    4.3515  -20.8906  C     
5    C         3.6210    5.8620  -21.1567  C     
6    N         3.8633    6.6220  -19.8956  N     
7    C         4.0024    8.1065  -19.9315  C     
8    C         2.7301    8.8622  -20.0961  C     
9    C         1.5845    8.4966  -19.3470  C     
10   C         0.3697    9.1614  -19.5624  C     
11   C        -0.9340    8.8357  -18.9650  C     
12   C        -1.7504    9.8760  -19.6095  C     
13   C        -1.0145   10.6884  -20.4317  C     
14   N        -1.8186   11.6372  -20.9305  N     
15   N        -3.0151   11.4500  -20.4491  N     
16   C        -3.0529   10.3637  -19.6390  C     
17   C        -4.1914    9.8656  -18.9515  C     
18   C        -4.2485    8.5278  -18.4949  C     
19   C        -5.3484    8.0553  -17.7659  C     
20   C        -5.3077   10.7031  -18.7178  C     
21   C        -6.4246   10.2393  -17.9886  C     
22   C        -6.4418    8.9024  -17.5051  C     
23   C        -7.5480    8.4392  -16.7622  C     
24   C        -8.6469    9.2847  -16.4823  C     
25   C        -9.7545    8.8036  -15.7365  C     
26   O        -9.7435    7.5776  -15.1653  O     
27   O       -10.8563    9.5606  -15.5229  O     
28   C        -8.6335   10.5990  -17.0061  C     
29   C        -7.5324   11.0761  -17.7389  C     
30   C         0.2949   10.2424  -20.4460  C     
31   C         1.4255   10.6716  -21.1597  C     
32   C         2.6358    9.9621  -20.9919  C     
33   C         2.1649    5.9905  -21.6980  C     
34   C         2.0011    5.1762  -23.0047  C     
35   H         2.9374    3.3173  -24.9150  H     
36   H         1.2210    2.9951  -24.5847  H     
37   H         2.4497    1.8423  -24.0365  H     
38   H         1.5843    3.2286  -22.1471  H     
39   H         4.5245    3.7406  -22.8861  H     
40   H         3.8759    2.4259  -21.8968  H     
41   H         3.2610    3.9700  -20.1090  H     
42   H         4.9619    4.2299  -20.5181  H     
43   H         4.3388    6.2150  -21.9149  H     
44   H         3.1313    6.3822  -19.2221  H     
45   H         4.7411    6.2784  -19.5011  H     
46   H         4.7393    8.3929  -20.6956  H     
47   H         4.4190    8.4148  -18.9665  H     
48   H         1.6078    7.7238  -18.6789  H     
49   H        -0.9207    8.9459  -17.8775  H     
50   H        -1.2368    7.8315  -19.2633  H     
51   H        -3.4968    7.8722  -18.6944  H     
52   H        -5.3481    7.0858  -17.4446  H     
53   H        -5.2980   11.6711  -19.0572  H     
54   H        -7.5413    7.4783  -16.4065  H     
55   H        -9.4196   11.2328  -16.8362  H     
56   H        -7.5454   12.0390  -18.0856  H     
57   H         1.3630   11.4566  -21.8123  H     
58   H         3.4517   10.2593  -21.5281  H     
59   H         1.4507    5.6345  -20.9482  H     
60   H         1.9432    7.0291  -21.9306  H     
61   H         0.9713    5.2787  -23.3607  H     
62   H         2.6598    5.6061  -23.7683  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   17   20 ar
    21   20   21 ar
    22   21   22 ar
    23   19   22 ar
    24   22   23 ar
    25   23   24 ar
    26   24   25 1
    27   25   26 1
    28   25   27 2
    29   24   28 ar
    30   28   29 ar
    31   21   29 ar
    32   10   30 ar
    33   13   30 1
    34   30   31 ar
    35   31   32 ar
    36    8   32 ar
    37    5   33 1
    38   33   34 1
    39    2   34 1
    40    1   35 1
    41    1   36 1
    42    1   37 1
    43    2   38 1
    44    3   39 1
    45    3   40 1
    46    4   41 1
    47    4   42 1
    48    5   43 1
    49    6   44 1
    50    6   45 1
    51    7   46 1
    52    7   47 1
    53    9   48 1
    54   11   49 1
    55   11   50 1
    56   18   51 1
    57   19   52 1
    58   20   53 1
    59   23   54 1
    60   28   55 1
    61   29   56 1
    62   31   57 1
    63   32   58 1
    64   33   59 1
    65   33   60 1
    66   34   61 1
    67   34   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7482
  Crash		| -1.0085
  Polar		| 2.4047
  FragIndex	| 1
  FragRMSD	| 0.764