@<TRIPOS>MOLECULE
BindingDB_15267
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.2968   11.0806  -19.4207  C     
2    O        -3.7444   11.9323  -20.0991  O     
3    N        -3.6523    9.9901  -18.9997  N     
4    N        -5.5666   11.3607  -19.1402  N     
5    C        -2.3778    9.5267  -19.2362  C     
6    C        -1.5073   10.0046  -20.2417  C     
7    C        -1.9339    8.4364  -18.4319  C     
8    C        -0.2294    9.4397  -20.4467  C     
9    C        -0.6781    7.8468  -18.6630  C     
10   C         0.1796    8.3428  -19.6625  C     
11   Cl        0.7634   10.0920  -21.6597  Cl    
12   N        -6.1440    9.5855  -17.6329  N     
13   N        -8.7252   10.3191  -17.6817  N     
14   C        -6.4719   10.6549  -18.4018  C     
15   C        -8.3801    9.2362  -16.9342  C     
16   C        -7.8284   11.0373  -18.4079  C     
17   C        -7.0239    8.8422  -16.9109  C     
18   O        -6.5653    7.8104  -16.1299  O     
19   O        -2.7505    7.9326  -17.4509  O     
20   C        -2.2945    8.1220  -16.0954  C     
21   C        -4.8403    6.0366  -15.8738  C     
22   C        -5.7769    6.8206  -16.8232  C     
23   C        -3.4894    8.1882  -15.1090  C     
24   C        -4.1789    6.8536  -14.7328  C     
25   C        -9.2984    8.6058  -16.2666  C     
26   N       -10.1119    8.0419  -15.6751  N     
27   N         1.3745    7.7426  -19.8482  N     
28   H        -4.1670    9.4255  -18.4120  H     
29   H        -5.9145   12.1783  -19.5413  H     
30   H        -1.8010   10.7496  -20.8731  H     
31   H        -0.3823    7.0489  -18.0900  H     
32   H        -8.1461   11.8381  -18.9563  H     
33   H        -1.6296    7.3034  -15.8143  H     
34   H        -1.7334    9.0561  -16.0009  H     
35   H        -5.4159    5.2316  -15.4095  H     
36   H        -4.0535    5.5669  -16.4693  H     
37   H        -6.4543    6.1055  -17.2855  H     
38   H        -5.1669    7.2481  -17.6216  H     
39   H        -3.1206    8.6043  -14.1685  H     
40   H        -4.2319    8.8897  -15.4981  H     
41   H        -4.9545    7.0807  -13.9938  H     
42   H        -3.4420    6.2143  -14.2380  H     
43   H         1.6329    6.9956  -19.2885  H     
44   H         1.9758    8.0611  -20.5380  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    3   28 1
    31    4   29 1
    32    6   30 1
    33    9   31 1
    34   16   32 1
    35   20   33 1
    36   20   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   23   39 1
    42   23   40 1
    43   24   41 1
    44   24   42 1
    45   27   43 1
    46   27   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7782
  Crash		| -3.4294
  Polar		| 2.3348
  FragIndex	| 1
  FragRMSD	| 0.980