@<TRIPOS>MOLECULE
BindingDB_6622
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.3772    8.2164   23.9937  C     
2    C         7.2030    9.0572   23.2585  C     
3    C         7.8870    8.2431   22.3676  C     
4    N         7.4537    6.9913   22.5828  N     
5    N         6.5808    6.9646   23.5374  N     
6    N         5.5576    8.5990   25.0055  N     
7    C         4.7470    7.8160   25.6968  C     
8    O         4.5206    6.6661   25.3425  O     
9    N         4.0312    8.1950   26.7377  N     
10   C         4.0265    9.2644   27.5916  C     
11   C         3.7608   10.8789   29.9333  C     
12   C         2.6314   10.2722   29.3637  C     
13   C         2.7724    9.4522   28.2289  C     
14   C         5.0053   10.7047   29.3028  C     
15   C         5.1458    9.9866   28.1030  C     
16   C         6.2271   11.1332   29.7154  C     
17   C         6.5856   10.0233   27.7424  C     
18   C         8.1207   11.8792   27.1242  C     
19   C         8.3686   11.4018   28.5651  C     
20   C         7.0834   10.8847   26.5503  C     
21   N         7.1321   10.7538   28.8340  N     
22   O         6.4592   11.7607   30.7407  O     
23   C         8.9053    8.6143   21.3772  C     
24   N        10.1979    7.9766   21.7334  N     
25   C        11.2485    7.8373   20.6869  C     
26   C        10.8371    6.8345   19.5797  C     
27   C        11.7184    9.1990   20.1162  C     
28   H         7.3110   10.0670   23.3662  H     
29   H         7.7613    6.2095   22.0995  H     
30   H         5.5660    9.5332   25.2523  H     
31   H         3.3495    7.5410   26.9637  H     
32   H         3.6745   11.4257   30.7938  H     
33   H         1.7140   10.3860   29.8033  H     
34   H         1.9406    8.9535   27.8955  H     
35   H         7.0082    9.0125   27.7227  H     
36   H         7.6909   12.8842   27.1456  H     
37   H         9.0406   11.9048   26.5363  H     
38   H         9.1888   10.6800   28.6080  H     
39   H         8.5871   12.2454   29.2295  H     
40   H         7.5681   10.2486   25.8073  H     
41   H         6.2665   11.4357   26.0771  H     
42   H         8.5486    8.2858   20.4026  H     
43   H         9.0298    9.6970   21.3518  H     
44   H        10.6052    8.5185   22.5037  H     
45   H        10.0034    7.0346   22.0888  H     
46   H        12.1130    7.3987   21.1986  H     
47   H        10.5669    5.8841   20.0390  H     
48   H        11.6616    6.6616   18.8895  H     
49   H         9.9866    7.2040   19.0025  H     
50   H        10.9285    9.6649   19.5198  H     
51   H        12.5972    9.0562   19.4862  H     
52   H        11.9924    9.8710   20.9291  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    4 1
     6    3   23 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 am
    11    9   10 1
    12   10   13 2
    13   10   15 1
    14   11   12 2
    15   11   14 1
    16   12   13 1
    17   14   15 2
    18   14   16 1
    19   15   17 1
    20   16   21 1
    21   16   22 2
    22   17   20 1
    23   17   21 1
    24   18   19 1
    25   18   20 1
    26   19   21 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   27 1
    31    2   28 1
    32    4   29 1
    33    6   30 1
    34    9   31 1
    35   11   32 1
    36   12   33 1
    37   13   34 1
    38   17   35 1
    39   18   36 1
    40   18   37 1
    41   19   38 1
    42   19   39 1
    43   20   40 1
    44   20   41 1
    45   23   42 1
    46   23   43 1
    47   24   44 1
    48   24   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   26   49 1
    53   27   50 1
    54   27   51 1
    55   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8002
  Crash		| -1.3716
  Polar		| 1.1187
  FragIndex	| 1
  FragRMSD	| 1.012