@<TRIPOS>MOLECULE
BindingDB_91890
 65 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.1914    2.6339  -23.4516  C     
2    C         3.0796    3.9163  -23.4457  C     
3    C         3.9222    4.0050  -22.1232  C     
4    C         4.1393    5.4579  -21.6393  C     
5    C         2.7853    6.1878  -21.3807  C     
6    N         2.2908    5.8588  -20.0096  N     
7    C         2.1265    6.9581  -19.0181  C     
8    C         0.9497    7.8332  -19.2782  C     
9    C        -0.2734    7.6208  -18.5885  C     
10   C        -1.3790    8.4469  -18.8536  C     
11   C        -2.7249    8.3933  -18.2414  C     
12   C        -3.3877    9.4690  -18.9962  C     
13   C        -2.5300   10.0537  -19.8945  C     
14   N        -3.1645   11.0501  -20.5278  N     
15   N        -4.3855   11.0777  -20.0782  N     
16   C        -4.5971   10.1469  -19.1166  C     
17   C        -5.8211    9.9952  -18.4077  C     
18   C        -6.9332   10.7972  -18.7535  C     
19   C        -8.1438   10.7008  -18.0487  C     
20   C        -8.3004    9.7817  -16.9870  C     
21   C        -9.5547    9.6810  -16.3188  C     
22   C       -10.2534    8.4489  -16.2544  C     
23   C       -11.5605    8.3900  -15.7315  C     
24   C       -12.1861    9.5567  -15.2483  C     
25   O       -13.4598    9.5333  -14.7831  O     
26   C       -11.4846   10.7763  -15.2642  C     
27   C       -10.1810   10.8345  -15.7893  C     
28   C        -7.1988    8.9631  -16.6511  C     
29   C        -5.9799    9.0703  -17.3487  C     
30   C        -1.2860    9.4602  -19.8146  C     
31   C        -0.0844    9.7123  -20.4976  C     
32   C         1.0300    8.9014  -20.2138  C     
33   C         1.6895    5.8575  -22.4532  C     
34   C         2.2558    5.2135  -23.7489  C     
35   H         1.6617    2.5380  -24.4047  H     
36   H         1.4539    2.6691  -22.6436  H     
37   H         2.8183    1.7444  -23.3169  H     
38   H         3.7834    3.7941  -24.2765  H     
39   H         3.4333    3.4529  -21.3093  H     
40   H         4.9012    3.5375  -22.2854  H     
41   H         4.7106    6.0045  -22.4077  H     
42   H         4.7479    5.4649  -20.7321  H     
43   H         3.0021    7.2619  -21.4499  H     
44   H         1.3860    5.3743  -20.0951  H     
45   H         2.9483    5.1873  -19.6085  H     
46   H         3.0410    7.5577  -18.9732  H     
47   H         2.0213    6.4763  -18.0433  H     
48   H        -0.3557    6.8726  -17.8944  H     
49   H        -2.6831    8.6266  -17.1743  H     
50   H        -3.1905    7.4188  -18.4138  H     
51   H        -6.8813   11.4651  -19.5258  H     
52   H        -8.9249   11.2910  -18.3431  H     
53   H        -9.8382    7.5906  -16.6286  H     
54   H       -12.0599    7.4971  -15.7116  H     
55   H       -13.8087    8.6436  -14.9880  H     
56   H       -11.9246   11.6299  -14.9113  H     
57   H        -9.6924   11.7347  -15.7938  H     
58   H        -7.2731    8.2819  -15.8893  H     
59   H        -5.2131    8.4533  -17.0754  H     
60   H        -0.0265   10.4691  -21.1840  H     
61   H         1.9139    9.1078  -20.6896  H     
62   H         0.9527    5.1629  -22.0544  H     
63   H         1.1476    6.7705  -22.7289  H     
64   H         1.4345    4.9989  -24.4459  H     
65   H         2.9080    5.9411  -24.2416  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 ar
    21   20   21 1
    22   21   22 ar
    23   22   23 ar
    24   23   24 ar
    25   24   25 1
    26   24   26 ar
    27   26   27 ar
    28   21   27 ar
    29   20   28 ar
    30   28   29 ar
    31   17   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   22   53 1
    59   23   54 1
    60   25   55 1
    61   26   56 1
    62   27   57 1
    63   28   58 1
    64   29   59 1
    65   31   60 1
    66   32   61 1
    67   33   62 1
    68   33   63 1
    69   34   64 1
    70   34   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4026
  Crash		| -1.0188
  Polar		| 4.7093
  FragIndex	| 1
  FragRMSD	| 0.547