@<TRIPOS>MOLECULE
BindingDB_13167
 71 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.6795  -10.5921   -1.3853  C     
2    N        -7.2779  -10.7315   -1.8363  N     
3    C        -6.1445  -10.4466   -0.8998  C     
4    C        -6.5107  -10.4782    0.5200  C     
5    C        -5.3711   -9.1638   -1.3003  C     
6    O        -7.1343   -9.5328    0.9885  O     
7    N        -6.2627  -11.5545    1.2597  N     
8    C        -6.7770  -11.8625    2.5728  C     
9    C        -8.1996  -13.5132    3.9822  C     
10   C        -7.3596  -13.3426    2.6624  C     
11   C        -8.3397  -13.6192    1.4644  C     
12   C        -6.2680  -14.4679    2.6548  C     
13   C        -5.7379  -11.5655    3.5696  C     
14   O        -4.5914  -11.8748    3.2442  O     
15   C        -4.8607  -10.7907    5.7238  C     
16   C        -7.1654  -10.4579    5.2391  C     
17   C        -6.9514  -10.0336    6.7018  C     
18   C        -5.4364   -9.8331    6.7974  C     
19   N        -5.9239  -10.9975    4.7749  N     
20   C        -4.3643  -12.0430    6.2883  C     
21   O        -5.1590  -12.8726    6.7036  O     
22   N        -3.0601  -12.2554    6.3551  N     
23   C        -2.3806  -13.3591    6.9724  C     
24   C        -0.3191  -15.3371    6.0178  C     
25   C        -1.7136  -15.7963    6.5052  C     
26   C        -2.7582  -14.6892    6.2509  C     
27   C         0.0600  -13.9886    6.5104  C     
28   C        -0.9115  -13.0661    6.9969  C     
29   C         1.4258  -13.6188    6.5100  C     
30   C        -0.4732  -11.8476    7.5664  C     
31   C         0.8904  -11.5210    7.6072  C     
32   C         1.8408  -12.3894    7.0473  C     
33   H        -8.9143  -11.3208   -0.6038  H     
34   H        -9.3356  -10.7735   -2.2355  H     
35   H        -8.8696   -9.5822   -1.0074  H     
36   H        -7.1525  -11.6832   -2.1808  H     
37   H        -7.1673  -10.1143   -2.6431  H     
38   H        -5.4420  -11.2675   -1.0813  H     
39   H        -5.1469   -9.1636   -2.3722  H     
40   H        -4.4195   -9.1050   -0.7622  H     
41   H        -5.9583   -8.2731   -1.0712  H     
42   H        -5.7274  -12.2509    0.8463  H     
43   H        -7.6289  -11.1990    2.7378  H     
44   H        -7.5660  -13.3756    4.8580  H     
45   H        -8.6525  -14.5050    4.0507  H     
46   H        -9.0105  -12.7723    4.0181  H     
47   H        -9.0711  -12.8072    1.3710  H     
48   H        -8.8765  -14.5593    1.5931  H     
49   H        -7.7747  -13.6817    0.5246  H     
50   H        -5.6222  -14.3557    1.7791  H     
51   H        -6.7118  -15.4612    2.6272  H     
52   H        -5.6426  -14.4062    3.5504  H     
53   H        -4.0496  -10.2508    5.2240  H     
54   H        -7.9795  -11.1795    5.1925  H     
55   H        -7.4236   -9.5909    4.6300  H     
56   H        -7.5037   -9.1213    6.9423  H     
57   H        -7.2716  -10.8312    7.3763  H     
58   H        -5.0665  -10.0267    7.8081  H     
59   H        -5.1983   -8.7973    6.5420  H     
60   H        -2.5027  -11.5383    6.0225  H     
61   H        -2.6987  -13.4391    8.0196  H     
62   H         0.4120  -16.0745    6.3572  H     
63   H        -0.2998  -15.3237    4.9266  H     
64   H        -2.0044  -16.7045    5.9738  H     
65   H        -1.6746  -16.0263    7.5736  H     
66   H        -3.7375  -15.0383    6.5920  H     
67   H        -2.8276  -14.5232    5.1739  H     
68   H         2.1345  -14.2581    6.1498  H     
69   H        -1.1480  -11.1847    7.9627  H     
70   H         1.1814  -10.6443    8.0489  H     
71   H         2.8334  -12.1356    7.0621  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    3    5 1
     5    4    6 2
     6    4    7 am
     7    7    8 1
     8    8   10 1
     9    8   13 1
    10    9   10 1
    11   10   11 1
    12   10   12 1
    13   13   14 2
    14   13   19 am
    15   15   18 1
    16   15   19 1
    17   15   20 1
    18   16   17 1
    19   16   19 1
    20   17   18 1
    21   20   21 2
    22   20   22 am
    23   23   22 1
    24   23   26 1
    25   23   28 1
    26   24   25 1
    27   24   27 1
    28   25   26 1
    29   27   28 2
    30   27   29 1
    31   28   30 1
    32   29   32 2
    33   30   31 2
    34   31   32 1
    35    1   33 1
    36    1   34 1
    37    1   35 1
    38    2   36 1
    39    2   37 1
    40    3   38 1
    41    5   39 1
    42    5   40 1
    43    5   41 1
    44    7   42 1
    45    8   43 1
    46    9   44 1
    47    9   45 1
    48    9   46 1
    49   11   47 1
    50   11   48 1
    51   11   49 1
    52   12   50 1
    53   12   51 1
    54   12   52 1
    55   15   53 1
    56   16   54 1
    57   16   55 1
    58   17   56 1
    59   17   57 1
    60   18   58 1
    61   18   59 1
    62   22   60 1
    63   23   61 1
    64   24   62 1
    65   24   63 1
    66   25   64 1
    67   25   65 1
    68   26   66 1
    69   26   67 1
    70   29   68 1
    71   30   69 1
    72   31   70 1
    73   32   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0865
  Crash		| -2.7311
  Polar		| 5.2602
  FragIndex	| 1
  FragRMSD	| 1.302