@<TRIPOS>MOLECULE
BindingDB_2579
 62 69 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9873    9.5520   18.7956  C     
2    C         4.8997    9.4585   19.7220  C     
3    N         6.0425   10.1000   19.6953  N     
4    O         3.9904    9.8266   20.4455  O     
5    C         4.9461    8.3934   18.8669  C     
6    C         6.2193    8.4180   18.2796  C     
7    C         4.0225    7.3905   18.4806  C     
8    C         4.4223    6.3953   17.5661  C     
9    C         2.3194    6.0057   18.0158  C     
10   C         2.6851    7.1253   18.7781  C     
11   C         0.9991    5.5078   18.0651  C     
12   C         0.0553    6.1309   18.9030  C     
13   C         0.4248    7.2463   19.6789  C     
14   C         1.7385    7.7500   19.6173  C     
15   N         3.3872    5.5708   17.3025  N     
16   C         5.7237    6.3904   17.0126  C     
17   C         6.5918    7.4393   17.3355  C     
18   C         7.5376    6.0797   15.8221  C     
19   C         7.7349    7.2453   16.5787  C     
20   C         8.5982    5.6358   14.9957  C     
21   C         8.9286    7.9890   16.5132  C     
22   C         9.9747    7.5260   15.6954  C     
23   C         9.8137    6.3438   14.9498  C     
24   N         6.3047    5.5512   16.1004  N     
25   C         2.8952    4.6588   15.0010  C     
26   C         3.4340    4.4162   16.4472  C     
27   C         5.8069    4.2210   15.6910  C     
28   C         5.3304    4.0207   14.1999  C     
29   O         4.7145    3.7775   16.5235  O     
30   C         3.9413    4.6468   13.8350  C     
31   N         4.0054    5.9284   13.0717  N     
32   C         4.6701    7.0759   13.6953  C     
33   O         6.3420    4.4656   13.2724  O     
34   C         6.3900    3.8240   11.9819  C     
35   C         6.8880    3.1232   16.0158  C     
36   H         7.2288   10.2686   18.0072  H     
37   H         7.8863    9.2278   19.3248  H     
38   H         6.2191   10.8824   20.2351  H     
39   H         0.7186    4.7062   17.4980  H     
40   H        -0.9021    5.7747   18.9457  H     
41   H        -0.2656    7.6956   20.2845  H     
42   H         1.9765    8.5592   20.1814  H     
43   H         8.5195    4.7971   14.4300  H     
44   H         9.0499    8.8449   17.0535  H     
45   H        10.8558    8.0428   15.6508  H     
46   H        10.5828    5.9949   14.3724  H     
47   H         2.1584    3.8749   14.7952  H     
48   H         2.3337    5.5966   14.9792  H     
49   H         2.7865    3.6655   16.9109  H     
50   H         5.2029    2.9348   14.0829  H     
51   H         3.5157    3.9758   13.0796  H     
52   H         4.4777    5.7642   12.1768  H     
53   H         3.0491    6.2141   12.8617  H     
54   H         4.5127    7.0183   14.7581  H     
55   H         4.2398    8.0045   13.3189  H     
56   H         5.7398    7.0667   13.4803  H     
57   H         6.7262    2.7906   12.0860  H     
58   H         7.1004    4.3619   11.3548  H     
59   H         5.4219    3.8389   11.4794  H     
60   H         7.5363    2.9180   15.1649  H     
61   H         6.4310    2.1689   16.2860  H     
62   H         7.5240    3.4260   16.8455  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    6 1
     3    2    3 1
     4    2    4 2
     5    2    5 1
     6    5    6 2
     7    5    7 1
     8    6   17 1
     9    7    8 2
    10    7   10 1
    11    8   15 1
    12    8   16 1
    13    9   10 2
    14    9   11 1
    15    9   15 1
    16   10   14 1
    17   11   12 2
    18   12   13 1
    19   13   14 2
    20   26   15 1
    21   16   17 2
    22   16   24 1
    23   17   19 1
    24   18   19 2
    25   18   20 1
    26   18   24 1
    27   19   21 1
    28   20   23 2
    29   21   22 2
    30   22   23 1
    31   27   24 1
    32   25   26 1
    33   25   30 1
    34   26   29 1
    35   27   28 1
    36   27   29 1
    37   27   35 1
    38   28   30 1
    39   28   33 1
    40   30   31 1
    41   31   32 1
    42   33   34 1
    43    1   36 1
    44    1   37 1
    45    3   38 1
    46   11   39 1
    47   12   40 1
    48   13   41 1
    49   14   42 1
    50   20   43 1
    51   21   44 1
    52   22   45 1
    53   23   46 1
    54   25   47 1
    55   25   48 1
    56   26   49 1
    57   28   50 1
    58   30   51 1
    59   31   52 1
    60   31   53 1
    61   32   54 1
    62   32   55 1
    63   32   56 1
    64   34   57 1
    65   34   58 1
    66   34   59 1
    67   35   60 1
    68   35   61 1
    69   35   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1711
  Crash		| -2.6052
  Polar		| 3.3132
  FragIndex	| 1
  FragRMSD	| 0.231