@<TRIPOS>MOLECULE
BindingDB_17054
 63 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.5452    9.5817   19.3794  C     
2    C         7.5417    9.1011   18.3854  C     
3    N         6.7956    9.9542   19.2370  N     
4    O         4.7585   10.2505   20.0266  O     
5    O         7.9868    9.8146   17.2351  O     
6    C         5.3101    8.4381   18.6659  C     
7    C         6.5221    8.0994   18.0476  C     
8    C         5.4969    6.1276   17.0093  C     
9    C         6.6126    6.9485   17.2315  C     
10   C         4.1619    7.6429   18.4295  C     
11   C         4.2600    6.5230   17.5792  C     
12   C         7.1645    5.2209   15.9054  C     
13   C         7.6585    6.3858   16.5167  C     
14   C         8.9956    6.8046   16.3594  C     
15   C         8.0563    4.4675   15.1002  C     
16   C         9.3879    4.8864   14.9132  C     
17   C         9.8579    6.0520   15.5437  C     
18   C         2.8289    7.6976   18.8456  C     
19   C         2.1614    6.6490   18.1950  C     
20   C         2.1192    8.5520   19.7177  C     
21   C         0.7403    8.3514   19.9195  C     
22   C         0.0701    7.3075   19.2533  C     
23   C         0.7752    6.4546   18.3839  C     
24   N         3.0434    5.9626   17.4310  N     
25   N         5.8428    5.0531   16.2347  N     
26   C         2.5228    5.3571   15.0806  C     
27   O         3.7736    3.8727   16.7338  O     
28   C         4.9769    3.8978   15.9386  C     
29   C         5.6429    2.5830   16.4622  C     
30   C         2.7666    4.8717   16.5474  C     
31   C         4.4875    3.7058   14.4548  C     
32   C         3.4689    4.7933   13.9685  C     
33   O         5.5895    3.5498   13.5395  O     
34   C         5.3557    2.8331   12.3138  C     
35   N         4.0089    5.8610   13.0759  N     
36   C         5.0905    6.7347   13.5520  C     
37   H         8.3822    8.6579   18.9243  H     
38   H         7.1579   10.7633   19.6358  H     
39   H         7.1695   10.0857   16.7649  H     
40   H         9.3496    7.6413   16.8195  H     
41   H         7.7645    3.6204   14.6267  H     
42   H        10.0188    4.3387   14.3226  H     
43   H        10.8281    6.3476   15.4130  H     
44   H         2.5763    9.3074   20.2187  H     
45   H         0.2220    8.9701   20.5480  H     
46   H        -0.9330    7.1722   19.3980  H     
47   H         0.2759    5.7065   17.9016  H     
48   H         1.4876    5.1078   14.8127  H     
49   H         2.5573    6.4481   15.0575  H     
50   H         6.4971    2.2827   15.8628  H     
51   H         4.9374    1.7473   16.4427  H     
52   H         5.9742    2.7099   17.4939  H     
53   H         1.8568    4.3681   16.8853  H     
54   H         3.9288    2.7600   14.4622  H     
55   H         2.8040    4.2590   13.2795  H     
56   H         5.1258    1.7856   12.5206  H     
57   H         6.2662    2.8745   11.7158  H     
58   H         4.5447    3.2751   11.7352  H     
59   H         4.3441    5.4337   12.2101  H     
60   H         3.2273    6.4598   12.8137  H     
61   H         4.8154    7.2423   14.4759  H     
62   H         5.2855    7.4883   12.7926  H     
63   H         6.0060    6.1621   13.6925  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1    6 1
     4    2    3 1
     5    2    5 1
     6    2    7 1
     7    6    7 2
     8    6   10 1
     9    7    9 1
    10    8    9 2
    11    8   11 1
    12    8   25 1
    13    9   13 1
    14   10   11 2
    15   10   18 1
    16   11   24 1
    17   12   13 2
    18   12   15 1
    19   12   25 1
    20   13   14 1
    21   14   17 2
    22   15   16 2
    23   16   17 1
    24   18   19 2
    25   18   20 1
    26   19   23 1
    27   19   24 1
    28   20   21 2
    29   21   22 1
    30   22   23 2
    31   24   30 1
    32   25   28 1
    33   26   30 1
    34   26   32 1
    35   27   28 1
    36   27   30 1
    37   28   29 1
    38   28   31 1
    39   31   32 1
    40   31   33 1
    41   32   35 1
    42   33   34 1
    43   35   36 1
    44    2   37 1
    45    3   38 1
    46    5   39 1
    47   14   40 1
    48   15   41 1
    49   16   42 1
    50   17   43 1
    51   20   44 1
    52   21   45 1
    53   22   46 1
    54   23   47 1
    55   26   48 1
    56   26   49 1
    57   29   50 1
    58   29   51 1
    59   29   52 1
    60   30   53 1
    61   31   54 1
    62   32   55 1
    63   34   56 1
    64   34   57 1
    65   34   58 1
    66   35   59 1
    67   35   60 1
    68   36   61 1
    69   36   62 1
    70   36   63 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9561
  Crash		| -1.0831
  Polar		| 4.0591
  FragIndex	| 1
  FragRMSD	| 1.020