@<TRIPOS>MOLECULE
BindingDB_13166
 71 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.0887  -10.0287   -2.3299  C     
2    N        -7.2701  -10.9716   -1.5220  N     
3    C        -6.1229  -10.4646   -0.7178  C     
4    C        -6.4848  -10.3956    0.6933  C     
5    C        -5.4838   -9.1468   -1.2408  C     
6    O        -7.0685   -9.4174    1.1355  O     
7    N        -6.2625  -11.4501    1.4531  N     
8    C        -6.7228  -11.7335    2.7928  C     
9    C        -6.3215  -14.3538    2.6649  C     
10   C        -7.3777  -13.1962    2.8471  C     
11   C        -8.1180  -13.5187    4.1864  C     
12   C        -8.4239  -13.3371    1.6802  C     
13   C        -5.6067  -11.4764    3.7199  C     
14   O        -4.4922  -11.8340    3.3537  O     
15   C        -4.5987  -10.8790    5.8886  C     
16   C        -6.9213  -10.4254    5.5332  C     
17   C        -6.6729  -10.3761    7.0443  C     
18   C        -5.1581  -10.1638    7.1448  C     
19   N        -5.7227  -10.9756    4.9669  N     
20   C        -3.9137  -12.1353    6.1924  C     
21   O        -4.5917  -13.1271    6.4000  O     
22   N        -2.5898  -12.1924    6.1977  N     
23   C        -1.7425  -13.3525    6.0567  C     
24   C         0.5206  -13.4107    8.0426  C     
25   C        -0.9394  -13.7299    8.4480  C     
26   C        -1.6834  -14.3639    7.2516  C     
27   C         0.7001  -12.8897    6.6584  C     
28   C        -0.3645  -12.8714    5.7029  C     
29   C         1.9952  -12.4271    6.2815  C     
30   C        -0.0967  -12.3503    4.4035  C     
31   C         1.1917  -11.8890    4.0490  C     
32   C         2.2418  -11.9372    4.9851  C     
33   H        -8.4188   -9.1719   -1.7400  H     
34   H        -8.9736  -10.5472   -2.6990  H     
35   H        -7.5121   -9.6777   -3.1885  H     
36   H        -7.9114  -11.4525   -0.8798  H     
37   H        -6.9112  -11.6794   -2.1749  H     
38   H        -5.3478  -11.2343   -0.8510  H     
39   H        -5.3577   -9.1966   -2.3273  H     
40   H        -4.5032   -8.9866   -0.7866  H     
41   H        -6.1225   -8.2941   -0.9996  H     
42   H        -5.7640  -12.1688    1.0389  H     
43   H        -7.4898  -10.9931    3.0418  H     
44   H        -5.8645  -14.3209    1.6724  H     
45   H        -6.7741  -15.3411    2.7783  H     
46   H        -5.5282  -14.2602    3.4111  H     
47   H        -7.3965  -13.6237    4.9937  H     
48   H        -8.6669  -14.4659    4.1227  H     
49   H        -8.8380  -12.7533    4.4643  H     
50   H        -9.2505  -12.6464    1.8327  H     
51   H        -8.8232  -14.3492    1.6309  H     
52   H        -7.9542  -13.1086    0.7176  H     
53   H        -3.8643  -10.2093    5.4397  H     
54   H        -7.8340  -11.0058    5.3465  H     
55   H        -7.0698   -9.4119    5.1345  H     
56   H        -7.2518   -9.5781    7.5226  H     
57   H        -6.9380  -11.3365    7.5025  H     
58   H        -4.7717  -10.5530    8.0937  H     
59   H        -4.9575   -9.0877    7.1042  H     
60   H        -2.1465  -11.3369    6.1499  H     
61   H        -2.1161  -13.9149    5.2057  H     
62   H         0.9155  -12.6696    8.7472  H     
63   H         1.1218  -14.3137    8.1357  H     
64   H        -0.9353  -14.4210    9.2967  H     
65   H        -1.4323  -12.8180    8.7527  H     
66   H        -2.6776  -14.6920    7.5549  H     
67   H        -1.1425  -15.2566    6.9327  H     
68   H         2.7677  -12.4300    6.9564  H     
69   H        -0.8413  -12.3006    3.7021  H     
70   H         1.3691  -11.5225    3.1094  H     
71   H         3.1752  -11.6047    4.7308  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    3    5 1
     5    4    6 2
     6    4    7 am
     7    7    8 1
     8    8   10 1
     9    8   13 1
    10    9   10 1
    11   10   11 1
    12   10   12 1
    13   13   14 2
    14   13   19 am
    15   15   18 1
    16   15   19 1
    17   15   20 1
    18   16   17 1
    19   16   19 1
    20   17   18 1
    21   20   21 2
    22   20   22 am
    23   23   22 1
    24   23   26 1
    25   23   28 1
    26   24   25 1
    27   24   27 1
    28   25   26 1
    29   27   28 2
    30   27   29 1
    31   28   30 1
    32   29   32 2
    33   30   31 2
    34   31   32 1
    35    1   33 1
    36    1   34 1
    37    1   35 1
    38    2   36 1
    39    2   37 1
    40    3   38 1
    41    5   39 1
    42    5   40 1
    43    5   41 1
    44    7   42 1
    45    8   43 1
    46    9   44 1
    47    9   45 1
    48    9   46 1
    49   11   47 1
    50   11   48 1
    51   11   49 1
    52   12   50 1
    53   12   51 1
    54   12   52 1
    55   15   53 1
    56   16   54 1
    57   16   55 1
    58   17   56 1
    59   17   57 1
    60   18   58 1
    61   18   59 1
    62   22   60 1
    63   23   61 1
    64   24   62 1
    65   24   63 1
    66   25   64 1
    67   25   65 1
    68   26   66 1
    69   26   67 1
    70   29   68 1
    71   30   69 1
    72   31   70 1
    73   32   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8649
  Crash		| -2.2852
  Polar		| 4.8204
  FragIndex	| 1
  FragRMSD	| 0.443