@<TRIPOS>MOLECULE
BindingDB_19769
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.4627  -35.1645   -1.8734  C     
2    C        32.7620  -35.1877   -1.1988  C     
3    C        32.8844  -34.0093   -0.1856  C     
4    C        33.0806  -32.5627   -0.7332  C     
5    C        32.2847  -32.1220   -1.9966  C     
6    C        31.0897  -34.1373   -2.8338  C     
7    O        30.6494  -36.0523   -1.6333  O     
8    N        31.0488  -32.8234   -2.2417  N     
9    C        29.3907  -30.5314   -1.8165  C     
10   C        29.2349  -28.7341   -3.3779  C     
11   C        29.3121  -29.6301   -0.7343  C     
12   C        29.1844  -28.2551   -1.0044  C     
13   C        29.1528  -27.7972   -2.3330  C     
14   N        29.3553  -30.0531   -3.0888  N     
15   S        29.5985  -32.2397   -1.5785  S     
16   O        28.3526  -32.8674   -2.3491  O     
17   O        29.4645  -32.6617   -0.0508  O     
18   N        33.8601  -35.2074   -2.1374  N     
19   C        34.6803  -36.2214   -2.4218  C     
20   O        34.4857  -37.3312   -1.9374  O     
21   C        35.7843  -36.0482   -3.3687  C     
22   C        35.4202  -36.5820   -4.7950  C     
23   C        36.5718  -36.5164   -5.8605  C     
24   C        36.2492  -37.3855   -7.1078  C     
25   C        36.9267  -35.0723   -6.3119  C     
26   N        36.9551  -36.7390   -2.8897  N     
27   C        38.1178  -36.2158   -2.5280  C     
28   O        38.2894  -35.0033   -2.4850  O     
29   C        39.1723  -37.0637   -2.2574  C     
30   C        40.4933  -36.7046   -1.9670  C     
31   O        39.0799  -38.4216   -2.2573  O     
32   C        40.2982  -38.9270   -1.9554  C     
33   C        41.1982  -37.8803   -1.7634  C     
34   C        42.5352  -38.1311   -1.4057  C     
35   C        42.9485  -39.4687   -1.2233  C     
36   C        42.0349  -40.5281   -1.4183  C     
37   C        40.7032  -40.2627   -1.8025  C     
38   H        32.8022  -36.0965   -0.5852  H     
39   H        31.9957  -34.0146    0.4546  H     
40   H        33.7354  -34.2225    0.4723  H     
41   H        32.8333  -31.8739    0.0820  H     
42   H        34.1444  -32.4190   -0.9444  H     
43   H        32.1109  -31.0458   -1.9359  H     
44   H        32.9327  -32.2455   -2.8665  H     
45   H        31.8143  -34.1533   -3.6512  H     
46   H        30.1286  -34.3832   -3.2985  H     
47   H        29.2216  -28.4272   -4.3513  H     
48   H        29.3561  -29.9609    0.2331  H     
49   H        29.1302  -27.5896   -0.2303  H     
50   H        29.0744  -26.7978   -2.5339  H     
51   H        34.0088  -34.3829   -2.6282  H     
52   H        35.9829  -34.9771   -3.4609  H     
53   H        35.1115  -37.6279   -4.6910  H     
54   H        34.5577  -36.0249   -5.1745  H     
55   H        37.4731  -36.9494   -5.4175  H     
56   H        36.0378  -38.4154   -6.8118  H     
57   H        37.1031  -37.4073   -7.7856  H     
58   H        35.3844  -36.9875   -7.6454  H     
59   H        36.0782  -34.6053   -6.8164  H     
60   H        37.7722  -35.0882   -7.0040  H     
61   H        37.2107  -34.4527   -5.4634  H     
62   H        36.9145  -37.7116   -2.9150  H     
63   H        40.8777  -35.7594   -1.8984  H     
64   H        43.1871  -37.3582   -1.2552  H     
65   H        43.9099  -39.6684   -0.9411  H     
66   H        42.3375  -41.4936   -1.2726  H     
67   H        40.0360  -41.0234   -1.9389  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1    7 2
     4    2    3 1
     5    2   18 1
     6    3    4 1
     7    4    5 1
     8    5    8 1
     9    6    8 1
    10    8   15 1
    11    9   11 2
    12    9   14 1
    13    9   15 1
    14   10   13 1
    15   10   14 2
    16   11   12 1
    17   12   13 2
    18   15   16 2
    19   15   17 2
    20   18   19 am
    21   19   20 2
    22   19   21 1
    23   21   22 1
    24   21   26 1
    25   22   23 1
    26   23   24 1
    27   23   25 1
    28   26   27 am
    29   27   28 2
    30   27   29 1
    31   29   30 2
    32   29   31 1
    33   30   33 1
    34   31   32 1
    35   32   33 2
    36   32   37 1
    37   33   34 1
    38   34   35 2
    39   35   36 1
    40   36   37 2
    41    2   38 1
    42    3   39 1
    43    3   40 1
    44    4   41 1
    45    4   42 1
    46    5   43 1
    47    5   44 1
    48    6   45 1
    49    6   46 1
    50   10   47 1
    51   11   48 1
    52   12   49 1
    53   13   50 1
    54   18   51 1
    55   21   52 1
    56   22   53 1
    57   22   54 1
    58   23   55 1
    59   24   56 1
    60   24   57 1
    61   24   58 1
    62   25   59 1
    63   25   60 1
    64   25   61 1
    65   26   62 1
    66   30   63 1
    67   34   64 1
    68   35   65 1
    69   36   66 1
    70   37   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0221
  Crash		| -2.3330
  Polar		| 4.0118
  FragIndex	| 1
  FragRMSD	| 1.090