@<TRIPOS>MOLECULE
BindingDB_15258
 58 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6569   10.7743  -20.0493  C     
2    O        -3.1707   11.3812  -20.9918  O     
3    N        -2.9469    9.8677  -19.3782  N     
4    N        -4.9352   11.0469  -19.8567  N     
5    C        -1.6085    9.5548  -19.5093  C     
6    C        -0.6321   10.4790  -19.9745  C     
7    C        -1.1763    8.2455  -19.1597  C     
8    C         0.7080   10.1141  -20.1815  C     
9    C         0.1878    7.8892  -19.3669  C     
10   C         1.1321    8.8130  -19.8741  C     
11   Cl        1.7961   11.2685  -20.7845  Cl    
12   N        -5.4913    9.7826  -17.8799  N     
13   N        -8.0572   10.6022  -18.1093  N     
14   C        -5.8197   10.5682  -18.9402  C     
15   C        -7.7240    9.8180  -17.0569  C     
16   C        -7.1612   10.9837  -19.0497  C     
17   C        -6.3898    9.3809  -16.9311  C     
18   O        -6.0522    8.6527  -15.8185  O     
19   O        -2.1330    7.3732  -18.6461  O     
20   C        -1.8057    5.9895  -18.3768  C     
21   C        -4.7797    6.7257  -16.7270  C     
22   C        -4.8182    7.9268  -15.7534  C     
23   C        -2.9606    5.1717  -17.7482  C     
24   C        -3.5629    5.7916  -16.4557  C     
25   C        -8.6287    9.5705  -16.1619  C     
26   N        -9.4122    9.3776  -15.3454  N     
27   O         2.4425    8.5008  -20.1373  O     
28   C         3.2462    7.8230  -19.1366  C     
29   C         3.3697    8.5672  -17.7471  C     
30   N         4.7256    8.8733  -17.1477  N     
31   C         5.8605    8.0232  -17.6243  C     
32   C         5.0702   10.3298  -17.1244  C     
33   H        -3.4441    9.3245  -18.7513  H     
34   H        -5.3107   11.7123  -20.4574  H     
35   H        -0.8937   11.4459  -20.1395  H     
36   H         0.5124    6.9464  -19.1535  H     
37   H        -7.4754   11.5862  -19.8132  H     
38   H        -1.5309    5.5101  -19.3162  H     
39   H        -0.9604    5.9310  -17.6825  H     
40   H        -5.7059    6.1501  -16.6250  H     
41   H        -4.7434    7.1101  -17.7507  H     
42   H        -3.9679    8.5901  -15.9377  H     
43   H        -4.7330    7.5556  -14.7306  H     
44   H        -3.7424    5.0213  -18.4945  H     
45   H        -2.5808    4.1778  -17.4948  H     
46   H        -2.7694    6.3274  -15.9258  H     
47   H        -3.8977    4.9862  -15.7915  H     
48   H         2.8348    6.8146  -18.9482  H     
49   H         4.2485    7.6853  -19.5839  H     
50   H         2.7740    9.4856  -17.7849  H     
51   H         2.8557    7.9469  -16.9956  H     
52   H         4.6474    8.6141  -16.1589  H     
53   H         5.5551    6.9830  -17.6966  H     
54   H         6.6983    8.0739  -16.9035  H     
55   H         6.2366    8.3620  -18.5903  H     
56   H         5.0161   10.7630  -18.1309  H     
57   H         6.0722   10.4995  -16.7210  H     
58   H         4.3659   10.8510  -16.4738  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	| 7.1716
  Crash		| -3.2619
  Polar		| 3.9709
  FragIndex	| 1
  FragRMSD	| 1.020