@<TRIPOS>MOLECULE
BindingDB_12127
 57 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8974   -2.0901    9.2856  C     
2    C        18.2792   -0.8795    8.9558  C     
3    N        19.1501   -0.1998    8.1680  N     
4    C        20.2546   -0.9306    7.9436  C     
5    C        20.1143   -2.1360    8.6233  C     
6    C        21.4040   -0.6739    7.1767  C     
7    C        22.3972   -1.6798    7.0810  C     
8    C        21.0871   -3.1444    8.5332  C     
9    C        17.0217   -0.4060    9.3193  C     
10   C        15.9955   -0.9712   10.0552  C     
11   C        13.8164   -0.1569   10.8267  C     
12   C        15.0217    0.0160   10.1277  C     
13   C        15.7234   -2.2194   10.6493  C     
14   C        14.5022   -2.4212   11.3362  C     
15   C        13.5231   -1.3935   11.4753  C     
16   N        16.6313    0.7684    8.9665  N     
17   N        15.4829    1.0484    9.4195  N     
18   C        22.2436   -2.9303    7.7397  C     
19   C        23.2969   -3.9836    7.6446  C     
20   C        22.4534   -6.1770    5.3102  C     
21   C        24.7365   -6.6491    6.3531  C     
22   C        25.0553   -5.1314    6.2600  C     
23   C        22.8413   -4.6774    5.2334  C     
24   N        23.8409   -4.2461    6.2671  N     
25   C        23.7143   -7.0742    5.2719  C     
26   C        11.7626   -2.5590   12.8308  C     
27   C        10.6311   -2.0684   13.3309  C     
28   N        12.3453   -1.5402   12.1868  N     
29   N        11.5376   -0.5590   12.3523  N     
30   N        10.5482   -0.8485   13.0123  N     
31   C        12.1414   -3.9449   12.9855  C     
32   H        18.5389   -2.8359    9.8811  H     
33   H        18.9912    0.6812    7.7947  H     
34   H        21.5143    0.2189    6.6919  H     
35   H        23.2296   -1.4969    6.5118  H     
36   H        20.9413   -4.0270    9.0268  H     
37   H        13.1586    0.6252   10.8488  H     
38   H        16.3844   -2.9894   10.5823  H     
39   H        14.3566   -3.3453   11.7426  H     
40   H        14.9930    1.8703    9.2387  H     
41   H        24.1153   -3.6332    8.2803  H     
42   H        22.9414   -4.9224    8.0797  H     
43   H        21.8977   -6.3620    6.2341  H     
44   H        21.8024   -6.4290    4.4684  H     
45   H        25.6582   -7.2252    6.2297  H     
46   H        24.3350   -6.8757    7.3458  H     
47   H        25.7363   -4.8662    7.0727  H     
48   H        25.6021   -4.9536    5.3300  H     
49   H        23.2792   -4.4887    4.2492  H     
50   H        21.9360   -4.0682    5.2887  H     
51   H        24.1735   -3.3358    5.9464  H     
52   H        23.4247   -8.1169    5.4279  H     
53   H        24.1797   -7.0024    4.2825  H     
54   H         9.9350   -2.5665   13.8343  H     
55   H        13.0763   -4.0068   13.5435  H     
56   H        12.2618   -4.3997   12.0025  H     
57   H        11.3876   -4.5210   13.5294  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   28 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 2
    32   26   28 1
    33   26   31 1
    34   27   30 1
    35   28   29 1
    36   29   30 2
    37    1   32 1
    38    3   33 1
    39    6   34 1
    40    7   35 1
    41    8   36 1
    42   11   37 1
    43   13   38 1
    44   14   39 1
    45   17   40 1
    46   19   41 1
    47   19   42 1
    48   20   43 1
    49   20   44 1
    50   21   45 1
    51   21   46 1
    52   22   47 1
    53   22   48 1
    54   23   49 1
    55   23   50 1
    56   24   51 1
    57   25   52 1
    58   25   53 1
    59   27   54 1
    60   31   55 1
    61   31   56 1
    62   31   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8835
  Crash		| -0.7071
  Polar		| 1.8106
  FragIndex	| 1
  FragRMSD	| 1.036