@<TRIPOS>MOLECULE
BindingDB_13177
 74 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.2101  -11.6099   -2.2802  C     
2    N        -7.8874  -10.3256   -1.5870  N     
3    C        -6.6037  -10.3627   -0.7954  C     
4    C        -6.7898  -10.5141    0.6593  C     
5    C        -5.7277   -9.1276   -1.1336  C     
6    O        -7.2983   -9.5958    1.2940  O     
7    N        -6.4814  -11.6513    1.2803  N     
8    C        -6.7891  -12.0168    2.6470  C     
9    C        -5.6758  -11.6509    3.5536  C     
10   O        -4.5469  -11.9099    3.1390  O     
11   C        -4.7243  -11.0298    5.7569  C     
12   C        -7.0114  -10.5242    5.2780  C     
13   C        -6.6407   -9.7899    6.5747  C     
14   C        -5.3951  -10.5386    7.0636  C     
15   N        -5.8002  -11.1242    4.7933  N     
16   C        -3.9771  -12.2719    5.9652  C     
17   O        -4.5879  -13.3281    6.0332  O     
18   N        -2.6523  -12.2554    5.9853  N     
19   C        -1.7461  -13.3694    6.0680  C     
20   C         0.7182  -14.1223    7.6546  C     
21   C        -0.6094  -14.9053    7.7916  C     
22   C        -1.8062  -13.9715    7.5045  C     
23   C         0.7984  -13.2826    6.4298  C     
24   C        -0.3589  -12.9513    5.6622  C     
25   C         2.0715  -12.8082    6.0343  C     
26   C        -0.1728  -12.2263    4.4572  C     
27   C         1.0996  -11.7705    4.0639  C     
28   C         2.2209  -12.0556    4.8583  C     
29   C        -7.2480  -13.5282    2.7907  C     
30   C        -6.0750  -14.5531    2.6308  C     
31   C        -7.9197  -13.7662    4.1930  C     
32   C        -8.3321  -13.8695    1.7070  C     
33   C        -9.1034   -9.8225   -0.8657  C     
34   H        -7.4218  -11.8658   -2.9858  H     
35   H        -9.1334  -11.5476   -2.8477  H     
36   H        -8.3057  -12.4297   -1.5574  H     
37   H        -7.7356   -9.6503   -2.3434  H     
38   H        -6.0158  -11.2150   -1.1452  H     
39   H        -5.6117   -9.0227   -2.2149  H     
40   H        -4.7381   -9.2398   -0.7018  H     
41   H        -6.1712   -8.2080   -0.7569  H     
42   H        -6.0545  -12.3355    0.7386  H     
43   H        -7.6780  -11.4360    2.9176  H     
44   H        -4.0490  -10.2460    5.3999  H     
45   H        -7.7645  -11.2832    5.4749  H     
46   H        -7.4004   -9.7993    4.5586  H     
47   H        -6.3919   -8.7479    6.3593  H     
48   H        -7.4508   -9.8187    7.3033  H     
49   H        -5.7066  -11.3683    7.7027  H     
50   H        -4.7391   -9.8812    7.6345  H     
51   H        -2.2371  -11.3832    5.8995  H     
52   H        -2.0513  -14.1361    5.3512  H     
53   H         0.8498  -13.4793    8.5303  H     
54   H         1.5280  -14.8604    7.6573  H     
55   H        -0.6267  -15.7423    7.0826  H     
56   H        -0.6978  -15.3193    8.8027  H     
57   H        -1.8098  -13.1721    8.2481  H     
58   H        -2.7343  -14.5419    7.6303  H     
59   H         2.9074  -13.0218    6.5861  H     
60   H        -0.9730  -11.9957    3.8636  H     
61   H         1.2057  -11.2284    3.1981  H     
62   H         3.1445  -11.7154    4.5751  H     
63   H        -5.5552  -14.3890    1.6819  H     
64   H        -6.4447  -15.5800    2.6515  H     
65   H        -5.3469  -14.4487    3.4366  H     
66   H        -7.2108  -13.5928    5.0035  H     
67   H        -8.2870  -14.7926    4.2841  H     
68   H        -8.7736  -13.0911    4.3225  H     
69   H        -9.1335  -13.1194    1.6972  H     
70   H        -8.7877  -14.8493    1.8908  H     
71   H        -7.8763  -13.8976    0.7109  H     
72   H        -9.8765   -9.5524   -1.5858  H     
73   H        -8.8605   -8.9209   -0.3048  H     
74   H        -9.5002  -10.5772   -0.1783  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    2   33 1
     4    3    4 1
     5    3    5 1
     6    4    6 2
     7    4    7 am
     8    7    8 1
     9    8    9 1
    10    8   29 1
    11    9   10 2
    12    9   15 am
    13   11   14 1
    14   11   15 1
    15   11   16 1
    16   12   13 1
    17   12   15 1
    18   13   14 1
    19   16   17 2
    20   16   18 am
    21   19   18 1
    22   19   22 1
    23   19   24 1
    24   20   21 1
    25   20   23 1
    26   21   22 1
    27   23   24 2
    28   23   25 1
    29   24   26 1
    30   25   28 2
    31   26   27 2
    32   27   28 1
    33   29   30 1
    34   29   31 1
    35   29   32 1
    36    1   34 1
    37    1   35 1
    38    1   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   11   44 1
    47   12   45 1
    48   12   46 1
    49   13   47 1
    50   13   48 1
    51   14   49 1
    52   14   50 1
    53   18   51 1
    54   19   52 1
    55   20   53 1
    56   20   54 1
    57   21   55 1
    58   21   56 1
    59   22   57 1
    60   22   58 1
    61   25   59 1
    62   26   60 1
    63   27   61 1
    64   28   62 1
    65   30   63 1
    66   30   64 1
    67   30   65 1
    68   31   66 1
    69   31   67 1
    70   31   68 1
    71   32   69 1
    72   32   70 1
    73   32   71 1
    74   33   72 1
    75   33   73 1
    76   33   74 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1527
  Crash		| -1.9550
  Polar		| 3.8562
  FragIndex	| 1
  FragRMSD	| 0.215