@<TRIPOS>MOLECULE
BindingDB_15253
 55 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3974   10.9935  -19.6188  C     
2    O        -3.9738   11.7363  -20.4900  O     
3    N        -3.6332   10.0493  -19.0570  N     
4    N        -5.6690   11.2845  -19.3742  N     
5    C        -2.3247    9.6617  -19.3572  C     
6    C        -1.4765   10.3041  -20.2997  C     
7    C        -1.7883    8.5121  -18.7083  C     
8    C        -0.1995    9.8103  -20.6438  C     
9    C        -0.5160    8.0106  -19.0701  C     
10   C         0.3100    8.6511  -20.0058  C     
11   Cl        0.5989   10.6053  -21.9070  Cl    
12   N        -6.4450   10.0072  -17.4433  N     
13   N        -8.8975   11.1034  -17.8097  N     
14   C        -6.6193   10.8460  -18.5021  C     
15   C        -8.7142   10.2769  -16.7572  C     
16   C        -7.9046   11.4026  -18.6783  C     
17   C        -7.4451    9.6888  -16.5618  C     
18   O        -7.2652    8.8900  -15.4600  O     
19   O        -2.5206    7.7717  -17.8119  O     
20   C        -2.0754    7.9165  -16.4449  C     
21   C        -5.0542    7.8818  -15.3752  C     
22   C        -6.5574    7.6599  -15.6458  C     
23   C        -2.6954    6.8370  -15.5260  C     
24   C        -4.2194    6.6177  -15.6846  C     
25   C        -9.7294   10.0682  -15.9741  C     
26   N       -10.6328    9.8821  -15.2913  N     
27   O         1.4464    7.9350  -20.3152  O     
28   C         2.6998    8.4180  -20.8467  C     
29   C         3.5090    9.3852  -19.9306  C     
30   C         3.4599   10.8824  -20.3150  C     
31   N         3.9482   11.1538  -21.6737  N     
32   H        -4.0733    9.5232  -18.3696  H     
33   H        -6.0108   11.9904  -19.9518  H     
34   H        -1.7907   11.1317  -20.8050  H     
35   H        -0.1914    7.1354  -18.6404  H     
36   H        -8.1091   12.0453  -19.4461  H     
37   H        -0.9877    7.8177  -16.3599  H     
38   H        -2.3412    8.9077  -16.0793  H     
39   H        -4.7062    8.6981  -16.0031  H     
40   H        -4.9108    8.1714  -14.3308  H     
41   H        -6.9508    6.9492  -14.9190  H     
42   H        -6.7262    7.2422  -16.6443  H     
43   H        -2.1992    5.8855  -15.7325  H     
44   H        -2.4893    7.1034  -14.4862  H     
45   H        -4.5309    5.8119  -15.0128  H     
46   H        -4.4259    6.2858  -16.7076  H     
47   H         3.3006    7.5139  -20.9616  H     
48   H         2.5773    8.8107  -21.8557  H     
49   H         3.1518    9.2793  -18.9047  H     
50   H         4.5621    9.0850  -19.9375  H     
51   H         2.4449   11.2655  -20.2224  H     
52   H         4.0928   11.4476  -19.6286  H     
53   H         4.9147   10.8402  -21.7716  H     
54   H         3.8988   12.1573  -21.8449  H     
55   H         3.3621   10.6725  -22.3561  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    3   32 1
    35    4   33 1
    36    6   34 1
    37    9   35 1
    38   16   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   28   47 1
    50   28   48 1
    51   29   49 1
    52   29   50 1
    53   30   51 1
    54   30   52 1
    55   31   53 1
    56   31   54 1
    57   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9587
  Crash		| -2.2184
  Polar		| 3.2069
  FragIndex	| 1
  FragRMSD	| 0.697