@<TRIPOS>MOLECULE
BindingDB_19771
 70 73 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6275  -35.0647   -1.8400  C     
2    C        32.9306  -35.3774   -1.2479  C     
3    C        33.5176  -32.8310   -0.8392  C     
4    C        32.1807  -32.0819   -1.0838  C     
5    C        31.4241  -33.8984   -2.6887  C     
6    O        30.6246  -35.5944   -1.3695  O     
7    N        31.1624  -32.7349   -1.8802  N     
8    C        29.4103  -30.4718   -2.2399  C     
9    C        28.5321  -28.3204   -1.6926  C     
10   C        30.0822  -29.9338   -3.3617  C     
11   C        29.9956  -28.5526   -3.6131  C     
12   C        29.2126  -27.7319   -2.7732  C     
13   N        28.6514  -29.6505   -1.4572  N     
14   S        29.5833  -32.1297   -1.7578  S     
15   O        28.5049  -32.9715   -2.5743  O     
16   O        29.1293  -32.2852   -0.2406  O     
17   N        33.9118  -35.5572   -2.2839  N     
18   C        34.7730  -36.5546   -2.4689  C     
19   O        34.7178  -37.5753   -1.7764  O     
20   C        35.7660  -36.4124   -3.5325  C     
21   C        35.1684  -36.7166   -4.9592  C     
22   C        36.0856  -36.6950   -6.2227  C     
23   C        36.9680  -35.4220   -6.2933  C     
24   C        36.9046  -38.0085   -6.4123  C     
25   N        36.9741  -37.1578   -3.2015  N     
26   C        38.1651  -36.6498   -2.8998  C     
27   O        38.3816  -35.4432   -2.9242  O     
28   C        39.1935  -37.5032   -2.5529  C     
29   C        40.4774  -37.1215   -2.1255  C     
30   O        39.1239  -38.8590   -2.5335  O     
31   C        40.3126  -39.3368   -2.0991  C     
32   C        41.1719  -38.2738   -1.8194  C     
33   C        42.4629  -38.4977   -1.3104  C     
34   C        42.8827  -39.8278   -1.0812  C     
35   C        42.0098  -40.9072   -1.3642  C     
36   C        40.7162  -40.6671   -1.8749  C     
37   C        33.4101  -34.2720   -0.2392  C     
38   C        32.6098  -34.2886    1.0978  C     
39   H        32.8304  -36.3112   -0.6847  H     
40   H        34.0782  -32.8652   -1.7807  H     
41   H        34.1008  -32.2088   -0.1550  H     
42   H        31.7665  -31.8376   -0.1003  H     
43   H        32.4395  -31.1334   -1.5666  H     
44   H        32.3015  -33.7003   -3.3038  H     
45   H        30.6156  -34.1056   -3.3990  H     
46   H        27.9720  -27.7461   -1.0585  H     
47   H        30.6657  -30.5264   -3.9710  H     
48   H        30.4982  -28.1426   -4.4058  H     
49   H        29.1579  -26.7214   -2.9417  H     
50   H        33.9980  -34.8104   -2.9022  H     
51   H        36.0228  -35.3427   -3.5265  H     
52   H        34.6446  -37.6764   -4.9407  H     
53   H        34.3807  -35.9832   -5.1451  H     
54   H        35.4086  -36.6470   -7.0892  H     
55   H        36.3332  -34.5382   -6.3855  H     
56   H        37.6472  -35.4579   -7.1473  H     
57   H        37.5548  -35.3275   -5.3651  H     
58   H        37.6656  -38.1322   -5.6341  H     
59   H        37.4200  -37.9955   -7.3835  H     
60   H        36.2386  -38.8801   -6.3802  H     
61   H        36.9011  -38.1164   -3.1936  H     
62   H        40.8316  -36.1733   -2.0042  H     
63   H        43.0824  -37.7174   -1.1069  H     
64   H        43.8274  -40.0147   -0.7327  H     
65   H        42.3258  -41.8709   -1.2124  H     
66   H        40.0805  -41.4435   -2.0761  H     
67   H        34.4330  -34.5455    0.0409  H     
68   H        31.5375  -34.1629    0.9245  H     
69   H        32.9558  -33.4839    1.7506  H     
70   H        32.7674  -35.2329    1.6206  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 2
     4    2   17 1
     5    2   37 1
     6    3    4 1
     7    3   37 1
     8    4    7 1
     9    5    7 1
    10    7   14 1
    11    8   10 2
    12    8   13 1
    13    8   14 1
    14    9   12 1
    15    9   13 2
    16   10   11 1
    17   11   12 2
    18   14   15 2
    19   14   16 2
    20   17   18 am
    21   18   19 2
    22   18   20 1
    23   20   21 1
    24   20   25 1
    25   21   22 1
    26   22   23 1
    27   22   24 1
    28   25   26 am
    29   26   27 2
    30   26   28 1
    31   28   29 2
    32   28   30 1
    33   29   32 1
    34   30   31 1
    35   31   32 2
    36   31   36 1
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40   35   36 2
    41   37   38 1
    42    2   39 1
    43    3   40 1
    44    3   41 1
    45    4   42 1
    46    4   43 1
    47    5   44 1
    48    5   45 1
    49    9   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   17   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   23   57 1
    61   24   58 1
    62   24   59 1
    63   24   60 1
    64   25   61 1
    65   29   62 1
    66   33   63 1
    67   34   64 1
    68   35   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	| 8.7839
  Crash		| -1.8564
  Polar		| 4.7311
  FragIndex	| 1
  FragRMSD	| 1.284