@<TRIPOS>MOLECULE
BindingDB_15261
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6294   10.8219  -20.0791  C     
2    O        -3.2582   11.5868  -20.9542  O     
3    N        -2.7902    9.9703  -19.4848  N     
4    N        -4.9125   10.9879  -19.7829  N     
5    C        -1.4476    9.7134  -19.7093  C     
6    C        -0.7312   10.1406  -20.8589  C     
7    C        -0.7407    8.9637  -18.7290  C     
8    C         0.6412    9.8756  -21.0224  C     
9    C         0.6427    8.7111  -18.8965  C     
10   C         1.3410    9.1606  -20.0322  C     
11   Cl        1.4353   10.4530  -22.4034  Cl    
12   N        -5.2577    9.4621  -17.9564  N     
13   N        -7.8338   10.2527  -17.7887  N     
14   C        -5.6980   10.3905  -18.8472  C     
15   C        -7.3842    9.3255  -16.9027  C     
16   C        -7.0481   10.7894  -18.7550  C     
17   C        -6.0412    8.9008  -16.9989  C     
18   O        -5.4663    8.0378  -16.1093  O     
19   O        -1.3875    8.6190  -17.5628  O     
20   C        -1.2441    7.2985  -16.9940  C     
21   C        -4.2458    5.9684  -16.5190  C     
22   C        -5.6375    6.6343  -16.3882  C     
23   C        -1.9603    6.1733  -17.7858  C     
24   C        -3.5017    6.3386  -17.8396  C     
25   C        -8.1890    8.8987  -15.9791  C     
26   N        -8.8952    8.5294  -15.1549  N     
27   O         2.6585    8.8168  -20.2130  O     
28   C         3.6329    9.5482  -19.4377  C     
29   C         3.8991   10.9821  -19.9439  C     
30   H        -3.1752    9.4717  -18.7495  H     
31   H        -5.3686   11.6704  -20.3071  H     
32   H        -1.1991   10.6406  -21.6118  H     
33   H         1.1673    8.2131  -18.1777  H     
34   H        -7.4415   11.4909  -19.3878  H     
35   H        -0.1969    7.0270  -16.8546  H     
36   H        -1.6678    7.3604  -15.9932  H     
37   H        -3.6587    6.2681  -15.6474  H     
38   H        -4.3590    4.8805  -16.4683  H     
39   H        -6.1595    6.1936  -15.5350  H     
40   H        -6.2350    6.4251  -17.2819  H     
41   H        -1.5673    6.1649  -18.8069  H     
42   H        -1.7192    5.2075  -17.3337  H     
43   H        -3.8828    5.7016  -18.6385  H     
44   H        -3.7187    7.3671  -18.1228  H     
45   H         3.3616    9.5695  -18.3775  H     
46   H         4.5716    8.9939  -19.5154  H     
47   H         4.3253   10.9530  -20.9470  H     
48   H         4.6078   11.4709  -19.2751  H     
49   H         2.9784   11.5670  -19.9610  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32    3   30 1
    33    4   31 1
    34    6   32 1
    35    9   33 1
    36   16   34 1
    37   20   35 1
    38   20   36 1
    39   21   37 1
    40   21   38 1
    41   22   39 1
    42   22   40 1
    43   23   41 1
    44   23   42 1
    45   24   43 1
    46   24   44 1
    47   28   45 1
    48   28   46 1
    49   29   47 1
    50   29   48 1
    51   29   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1805
  Crash		| -1.6994
  Polar		| 1.8547
  FragIndex	| 1
  FragRMSD	| 1.000