@<TRIPOS>MOLECULE
BindingDB_6629
 56 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.1264    8.2451   23.5061  C     
2    C         7.3175    8.0426   22.1391  C     
3    C         8.6949    7.9904   21.9451  C     
4    N         9.2551    8.2043   23.1449  N     
5    N         8.3509    8.3325   24.0577  N     
6    N         5.9484    8.3710   24.1795  N     
7    C         5.8188    8.5489   25.4870  C     
8    O         6.7597    8.3825   26.2611  O     
9    N         4.6537    8.9381   25.9702  N     
10   C         4.4023    9.3779   27.2358  C     
11   C         3.7498   10.1763   29.8886  C     
12   C         2.7801    9.5687   29.0678  C     
13   C         3.1029    9.1692   27.7570  C     
14   C         5.0288   10.4157   29.3615  C     
15   C         5.3412   10.0696   28.0449  C     
16   C         6.1013   11.0333   29.9294  C     
17   C         6.7039   10.5571   27.7737  C     
18   C         8.1520   12.4262   27.4078  C     
19   C         8.0520   12.1666   28.9342  C     
20   C         6.9035   11.7420   26.8092  C     
21   N         7.0596   11.1396   29.0200  N     
22   O         6.1039   11.5638   31.0319  O     
23   C         9.4926    7.7163   20.7265  C     
24   C        10.6979    5.9433   19.4126  C     
25   C         9.0642    5.1956   21.1119  C     
26   C        10.1930    4.8113   22.1081  C     
27   C        11.4900    4.4496   21.3428  C     
28   C        11.8940    5.5515   20.3329  C     
29   N         9.4551    6.3098   20.1770  N     
30   H         6.5953    7.9208   21.4223  H     
31   H        10.2090    8.1977   23.3181  H     
32   H         5.1320    8.4102   23.6441  H     
33   H         3.8936    8.8320   25.3833  H     
34   H         3.5130   10.4627   30.8377  H     
35   H         1.8393    9.4131   29.4260  H     
36   H         2.3918    8.7029   27.1928  H     
37   H         7.3920    9.7416   27.5266  H     
38   H         8.1755   13.4931   27.1735  H     
39   H         9.0625   11.9634   27.0098  H     
40   H         9.0076   11.8230   29.3450  H     
41   H         7.7465   13.0821   29.4522  H     
42   H         7.0615   11.4145   25.7813  H     
43   H         6.0492   12.4306   26.8453  H     
44   H         9.1292    8.3949   19.9457  H     
45   H        10.5264    8.0019   20.9509  H     
46   H        11.0055    6.7640   18.7596  H     
47   H        10.4656    5.0981   18.7586  H     
48   H         8.8009    4.3161   20.5198  H     
49   H         8.1651    5.4523   21.6752  H     
50   H        10.3931    5.6371   22.7928  H     
51   H         9.8676    3.9536   22.6998  H     
52   H        12.3030    4.3004   22.0647  H     
53   H        11.3398    3.5078   20.8030  H     
54   H        12.7212    5.1936   19.7167  H     
55   H        12.2441    6.4298   20.8839  H     
56   H         8.7097    6.3334   19.4738  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   29 1
    28   24   28 1
    29   24   29 1
    30   25   26 1
    31   25   29 1
    32   26   27 1
    33   27   28 1
    34    2   30 1
    35    4   31 1
    36    6   32 1
    37    9   33 1
    38   11   34 1
    39   12   35 1
    40   13   36 1
    41   17   37 1
    42   18   38 1
    43   18   39 1
    44   19   40 1
    45   19   41 1
    46   20   42 1
    47   20   43 1
    48   23   44 1
    49   23   45 1
    50   24   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   28   54 1
    59   28   55 1
    60   29   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0387
  Crash		| -1.0091
  Polar		| 2.4920
  FragIndex	| 1
  FragRMSD	| 0.929