@<TRIPOS>MOLECULE
BindingDB_15259
 58 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.4387   10.9312  -19.6086  C     
2    O        -3.9900   11.6061  -20.5183  O     
3    N        -3.7047   10.0187  -18.9686  N     
4    N        -5.6901   11.2629  -19.3308  N     
5    C        -2.3890    9.6350  -19.1691  C     
6    C        -1.4268   10.4224  -19.8518  C     
7    C        -1.9805    8.3739  -18.6681  C     
8    C        -0.1200    9.9581  -20.1190  C     
9    C        -0.6589    7.9298  -18.9172  C     
10   C         0.2913    8.7044  -19.6052  C     
11   Cl        0.8469   10.9501  -21.1111  Cl    
12   N        -6.5052    9.5961  -17.7699  N     
13   N        -8.7088   11.1301  -17.3791  N     
14   C        -6.5891   10.7900  -18.4261  C     
15   C        -8.6110    9.9509  -16.7150  C     
16   C        -7.7404   11.5775  -18.2076  C     
17   C        -7.4677    9.1567  -16.9059  C     
18   O        -7.4019    7.9288  -16.3384  O     
19   O        -2.9121    7.5341  -18.0986  O     
20   C        -2.6006    6.8222  -16.8792  C     
21   C        -5.2951    7.2428  -15.2685  C     
22   C        -6.7057    7.8645  -15.0665  C     
23   C        -2.7516    7.6807  -15.5983  C     
24   C        -4.1597    8.2918  -15.3661  C     
25   C        -9.5982    9.5714  -15.9720  C     
26   N       -10.4703    9.2454  -15.2995  N     
27   O         1.5002    8.0656  -19.7761  O     
28   C         2.7990    8.6900  -19.7423  C     
29   C         3.5063    8.5638  -21.1237  C     
30   C         3.2855    7.2368  -21.9317  C     
31   C         3.5639    5.9442  -21.1056  C     
32   C         1.9089    7.1817  -22.6709  C     
33   H        -4.1778    9.5211  -18.2862  H     
34   H        -6.0291   12.0123  -19.8556  H     
35   H        -1.6718   11.3546  -20.1777  H     
36   H        -0.3846    6.9921  -18.6391  H     
37   H        -7.8842   12.4740  -18.6833  H     
38   H        -3.2693    5.9581  -16.8152  H     
39   H        -1.6005    6.3918  -16.8941  H     
40   H        -5.0693    6.5539  -14.4368  H     
41   H        -5.3311    6.6488  -16.1957  H     
42   H        -6.6616    8.8263  -14.5485  H     
43   H        -7.2931    7.1944  -14.4340  H     
44   H        -2.4971    7.0671  -14.7352  H     
45   H        -2.0194    8.4854  -15.6391  H     
46   H        -4.3703    9.0178  -16.1501  H     
47   H        -4.1202    8.8307  -14.4220  H     
48   H         2.7313    9.7367  -19.4277  H     
49   H         3.3962    8.1775  -18.9825  H     
50   H         3.1696    9.3911  -21.7475  H     
51   H         4.5762    8.6957  -20.9735  H     
52   H         4.0388    7.2612  -22.7314  H     
53   H         4.6125    5.6548  -21.2184  H     
54   H         2.9463    5.1023  -21.4338  H     
55   H         3.3850    6.1063  -20.0448  H     
56   H         1.1048    6.9613  -21.9717  H     
57   H         1.9169    6.4006  -23.4308  H     
58   H         1.7081    8.1301  -23.1828  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   29   30 1
    33   30   31 1
    34   30   32 1
    35    3   33 1
    36    4   34 1
    37    6   35 1
    38    9   36 1
    39   16   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   24   47 1
    50   28   48 1
    51   28   49 1
    52   29   50 1
    53   29   51 1
    54   30   52 1
    55   31   53 1
    56   31   54 1
    57   31   55 1
    58   32   56 1
    59   32   57 1
    60   32   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5205
  Crash		| -1.2498
  Polar		| 2.0686
  FragIndex	| 1
  FragRMSD	| 0.637