@<TRIPOS>MOLECULE
BindingDB_19779
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.5822  -35.2665   -1.5776  C     
2    C        32.9220  -35.5313   -1.0538  C     
3    C        31.2451  -34.0467   -2.2972  C     
4    O        30.6786  -36.0630   -1.3426  O     
5    N        30.8040  -33.0015   -1.3997  N     
6    C        29.5480  -30.5247   -2.2840  C     
7    C        29.7507  -29.0173   -4.1225  C     
8    C        29.6199  -29.4517   -1.3702  C     
9    C        29.7483  -28.1414   -1.8645  C     
10   C        29.8118  -27.9146   -3.2492  C     
11   N        29.6219  -30.2680   -3.6170  N     
12   S        29.3595  -32.1727   -1.7654  S     
13   O        28.4985  -32.9081   -2.8858  O     
14   O        28.3293  -32.2235   -0.5507  O     
15   N        33.9013  -35.5414   -2.1096  N     
16   C        34.7358  -36.5290   -2.4312  C     
17   O        34.6708  -37.6244   -1.8886  O     
18   C        35.7109  -36.3260   -3.5027  C     
19   C        35.1408  -36.7872   -4.8813  C     
20   C        36.0989  -36.7545   -6.1285  C     
21   C        36.9948  -35.4810   -6.2112  C     
22   C        36.9556  -38.0454   -6.2773  C     
23   N        36.9323  -37.0276   -3.1935  N     
24   C        38.1096  -36.4907   -2.8968  C     
25   O        38.2537  -35.2874   -2.7827  O     
26   C        39.1721  -37.3124   -2.5685  C     
27   C        40.4627  -36.8963   -2.1935  C     
28   O        39.1287  -38.6710   -2.5264  O     
29   C        40.3360  -39.1246   -2.1112  C     
30   C        41.1829  -38.0362   -1.8889  C     
31   C        42.5034  -38.2238   -1.4341  C     
32   C        42.9513  -39.5342   -1.1799  C     
33   C        42.0969  -40.6370   -1.4001  C     
34   C        40.7750  -40.4333   -1.8719  C     
35   C        33.3363  -34.5043    0.0443  C     
36   C        33.1484  -32.9980   -0.3100  C     
37   C        31.6692  -32.4684   -0.3480  C     
38   C        31.0144  -32.5985    1.0620  C     
39   H        32.9091  -36.5119   -0.5583  H     
40   H        32.1039  -33.6779   -2.8640  H     
41   H        30.4990  -34.3070   -3.0505  H     
42   H        29.8048  -28.8812   -5.1359  H     
43   H        29.5781  -29.6181   -0.3630  H     
44   H        29.7994  -27.3544   -1.2135  H     
45   H        29.9051  -26.9675   -3.6189  H     
46   H        33.9685  -34.7252   -2.6300  H     
47   H        35.9206  -35.2477   -3.5901  H     
48   H        34.7357  -37.8014   -4.7797  H     
49   H        34.3015  -36.1192   -5.1202  H     
50   H        35.4548  -36.7216   -7.0250  H     
51   H        36.3737  -34.5824   -6.1682  H     
52   H        37.5715  -35.4688   -7.1406  H     
53   H        37.6998  -35.4561   -5.3750  H     
54   H        37.6395  -38.1658   -5.4358  H     
55   H        37.5445  -38.0126   -7.1975  H     
56   H        36.3054  -38.9220   -6.3359  H     
57   H        36.8830  -37.9994   -3.1906  H     
58   H        40.7984  -35.9338   -2.1003  H     
59   H        43.1220  -37.4160   -1.2768  H     
60   H        43.9109  -39.6965   -0.8609  H     
61   H        42.4311  -41.5865   -1.2464  H     
62   H        40.1514  -41.2289   -2.0459  H     
63   H        32.7835  -34.7327    0.9562  H     
64   H        34.3943  -34.6721    0.2773  H     
65   H        33.7029  -32.4181    0.4310  H     
66   H        33.6353  -32.7969   -1.2690  H     
67   H        31.7706  -31.3977   -0.5421  H     
68   H        30.2268  -31.8606    1.1914  H     
69   H        31.7441  -32.4276    1.8563  H     
70   H        30.5820  -33.5983    1.1947  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    4 2
     4    2   15 1
     5    2   35 1
     6    3    5 1
     7    5   12 1
     8    5   37 1
     9    6    8 2
    10    6   11 1
    11    6   12 1
    12    7   10 1
    13    7   11 2
    14    8    9 1
    15    9   10 2
    16   12   13 2
    17   12   14 2
    18   15   16 am
    19   16   17 2
    20   16   18 1
    21   18   19 1
    22   18   23 1
    23   19   20 1
    24   20   21 1
    25   20   22 1
    26   23   24 am
    27   24   25 2
    28   24   26 1
    29   26   27 2
    30   26   28 1
    31   27   30 1
    32   28   29 1
    33   29   30 2
    34   29   34 1
    35   30   31 1
    36   31   32 2
    37   32   33 1
    38   33   34 2
    39   35   36 1
    40   36   37 1
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    7   42 1
    46    8   43 1
    47    9   44 1
    48   10   45 1
    49   15   46 1
    50   18   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   21   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   22   55 1
    59   22   56 1
    60   23   57 1
    61   27   58 1
    62   31   59 1
    63   32   60 1
    64   33   61 1
    65   34   62 1
    66   35   63 1
    67   35   64 1
    68   36   65 1
    69   36   66 1
    70   37   67 1
    71   38   68 1
    72   38   69 1
    73   38   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8448
  Crash		| -1.6446
  Polar		| 4.7712
  FragIndex	| 1
  FragRMSD	| 1.056