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


@<TRIPOS>ATOM
1    C        -9.0903  -10.0649   -1.8925  C     
2    N        -7.6430  -10.0074   -2.1997  N     
3    C        -6.6862   -9.9434   -1.0608  C     
4    C        -7.2515   -9.8223    0.2880  C     
5    C        -5.6367   -8.8340   -1.3315  C     
6    O        -7.8253   -8.7922    0.6244  O     
7    N        -7.0813  -10.8217    1.1325  N     
8    C        -7.5130  -10.9966    2.5091  C     
9    C        -9.2657  -12.5375    3.8152  C     
10   C        -8.3473  -12.3774    2.5519  C     
11   C        -9.3902  -12.4755    1.3685  C     
12   C        -7.4066  -13.6278    2.3723  C     
13   C        -6.2803  -10.8612    3.3542  C     
14   O        -5.2164  -10.9894    2.7526  O     
15   C        -4.8505  -10.4225    5.3243  C     
16   C        -7.1958  -10.1336    5.5381  C     
17   C        -6.5762   -9.9456    6.9368  C     
18   C        -5.1304   -9.6123    6.6182  C     
19   N        -6.1391  -10.5538    4.6632  N     
20   C        -4.1185  -11.6920    5.4614  C     
21   O        -4.6778  -12.6999    5.0374  O     
22   N        -2.8441  -11.8271    5.8466  N     
23   C        -2.0537  -13.0250    5.7598  C     
24   C        -0.1056  -13.7499    7.9501  C     
25   C        -1.6258  -13.6345    8.2171  C     
26   C        -2.4213  -13.9771    6.9376  C     
27   C         0.3432  -13.1449    6.6681  C     
28   C        -0.5772  -12.7307    5.6624  C     
29   C         1.7359  -12.9961    6.4347  C     
30   C        -0.0658  -12.0814    4.5037  C     
31   C         1.3212  -11.9314    4.2908  C     
32   C         2.2198  -12.4126    5.2491  C     
33   H        -9.2998  -10.8264   -1.1317  H     
34   H        -9.6349  -10.3152   -2.8049  H     
35   H        -9.4508   -9.0923   -1.5415  H     
36   H        -7.4302  -10.8639   -2.7118  H     
37   H        -7.4989   -9.2366   -2.8559  H     
38   H        -6.1298  -10.8852   -1.1223  H     
39   H        -5.2151   -8.9546   -2.3326  H     
40   H        -4.8199   -8.8976   -0.6052  H     
41   H        -6.0857   -7.8406   -1.2707  H     
42   H        -6.5005  -11.5287    0.8030  H     
43   H        -8.1764  -10.1671    2.7704  H     
44   H        -8.7148  -12.5125    4.7536  H     
45   H        -9.7791  -13.5010    3.8174  H     
46   H       -10.0143  -11.7345    3.8461  H     
47   H       -10.0196  -11.5859    1.3302  H     
48   H       -10.0478  -13.3429    1.4631  H     
49   H        -8.8981  -12.5749    0.3953  H     
50   H        -6.7699  -13.5064    1.4939  H     
51   H        -7.9850  -14.5467    2.2564  H     
52   H        -6.7355  -13.7931    3.2086  H     
53   H        -4.2291   -9.7736    4.7090  H     
54   H        -7.9845  -10.8689    5.6408  H     
55   H        -7.6386   -9.2049    5.1790  H     
56   H        -7.0828   -9.1518    7.4899  H     
57   H        -6.6375  -10.8708    7.5172  H     
58   H        -4.4709   -9.8188    7.4540  H     
59   H        -5.0593   -8.5463    6.3878  H     
60   H        -2.3872  -11.0388    6.1727  H     
61   H        -2.3231  -13.5930    4.8574  H     
62   H         0.4102  -13.2613    8.7802  H     
63   H         0.1775  -14.8041    7.9498  H     
64   H        -1.9190  -14.3200    9.0148  H     
65   H        -1.8856  -12.6171    8.5292  H     
66   H        -3.5028  -13.9263    7.1379  H     
67   H        -2.1994  -15.0129    6.6568  H     
68   H         2.4085  -13.3147    7.1327  H     
69   H        -0.7166  -11.6785    3.8088  H     
70   H         1.6637  -11.4909    3.4377  H     
71   H         3.2228  -12.3226    5.0921  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	| 8.6246
  Crash		| -2.5225
  Polar		| 6.1142
  FragIndex	| 1
  FragRMSD	| 0.523