@<TRIPOS>MOLECULE
BindingDB_12121
 53 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.4530   -1.9778    9.2811  C     
2    C        18.7331   -0.7929    9.0388  C     
3    N        19.5068   -0.0280    8.2337  N     
4    C        20.6472   -0.6733    7.9239  C     
5    C        20.6435   -1.9018    8.5831  C     
6    C        21.6971   -0.3332    7.0602  C     
7    C        22.7702   -1.2434    6.8923  C     
8    C        21.7123   -2.8140    8.4336  C     
9    C        17.4323   -0.4896    9.4002  C     
10   C        16.5460   -1.1521   10.2190  C     
11   C        14.1305   -1.0044   10.5931  C     
12   C        15.3104   -0.5473    9.9984  C     
13   C        16.6352   -2.2038   11.1586  C     
14   C        15.4668   -2.6661   11.7913  C     
15   C        14.1944   -2.0948   11.5061  C     
16   N        16.7764    0.4649    8.8255  N     
17   N        15.5515    0.4639    9.1586  N     
18   C        22.7866   -2.5028    7.5658  C     
19   C        23.9186   -3.4527    7.3891  C     
20   C        22.2338   -6.1902    5.2010  C     
21   C        24.5987   -6.6537    5.3299  C     
22   C        24.8623   -5.2371    5.9103  C     
23   C        22.4454   -4.7556    5.7465  C     
24   N        23.6550   -4.7271    6.6359  N     
25   O        23.4128   -6.6568    4.5061  O     
26   C        13.0422   -2.5674   12.1615  C     
27   C        12.8140   -2.5794   13.5451  C     
28   C        11.8622   -3.0687   11.6265  C     
29   N        11.6008   -3.0877   13.7523  N     
30   N        11.0249   -3.3904   12.6273  N     
31   H        19.1471   -2.7953    9.8092  H     
32   H        19.2442    0.8256    7.8639  H     
33   H        21.6832    0.5499    6.5484  H     
34   H        23.5348   -0.9920    6.2599  H     
35   H        21.6927   -3.6948    8.9551  H     
36   H        13.2437   -0.5407   10.3834  H     
37   H        17.5305   -2.6343   11.3924  H     
38   H        15.5401   -3.4532   12.4449  H     
39   H        14.8806    1.0853    8.8254  H     
40   H        24.7469   -2.8960    6.9426  H     
41   H        24.2704   -3.7411    8.3799  H     
42   H        21.9850   -6.8788    6.0184  H     
43   H        21.3993   -6.1985    4.4960  H     
44   H        25.4470   -6.9545    4.7077  H     
45   H        24.5054   -7.3816    6.1453  H     
46   H        25.7135   -5.3018    6.5923  H     
47   H        25.1268   -4.5647    5.0876  H     
48   H        22.5521   -4.0501    4.9125  H     
49   H        21.5508   -4.4791    6.3151  H     
50   H        23.4548   -5.4202    7.3560  H     
51   H        13.4604   -2.2570   14.2668  H     
52   H        11.6604   -3.2083   10.6321  H     
53   H        11.1919   -3.2116   14.6276  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   26 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   27   29 1
    34   28   30 2
    35   29   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   27   51 1
    57   28   52 1
    58   29   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6937
  Crash		| -0.4701
  Polar		| 1.8051
  FragIndex	| 1
  FragRMSD	| 0.686