@<TRIPOS>MOLECULE
BindingDB_11431
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.7251   64.5418    7.1399  C     
2    C         1.2903   63.4434    7.8136  C     
3    C         0.2013   63.5325    8.7013  C     
4    C        -0.0436   65.7862    8.1023  C     
5    C        -0.5373   67.0773    8.0341  C     
6    C         0.3014   67.7325    7.1457  C     
7    N         2.7300   64.5455    6.2494  N     
8    C         3.8037   63.7375    6.1405  C     
9    C         4.2586   62.8738    7.1688  C     
10   C         4.5226   63.7850    4.9305  C     
11   C         5.5652   62.8863    4.6826  C     
12   C         5.9610   61.9584    5.6705  C     
13   C         5.3121   61.9743    6.9334  C     
14   S         7.1151   60.7136    5.2901  S     
15   O         7.5643   60.7300    3.7667  O     
16   O         8.4305   61.0638    6.1079  O     
17   N         6.5462   59.1678    5.6775  N     
18   C         5.1811   58.8398    5.3758  C     
19   C         7.3230   58.3423    6.5525  C     
20   N         1.0210   65.6953    7.2719  N     
21   N        -0.4582   64.7146    8.8213  N     
22   N         1.2266   66.8547    6.7117  N     
23   N        -0.1500   62.4465    9.4301  N     
24   C        -1.1959   62.4042   10.4155  C     
25   C        -0.5951   62.4413   11.8513  C     
26   C        -2.0645   61.1305   10.2299  C     
27   C        -3.2150   61.0958   11.2734  C     
28   C        -2.6773   61.2047   12.7251  C     
29   C        -1.7189   62.4103   12.9212  C     
30   N        -3.7783   61.2901   13.6992  N     
31   Cl       -1.8866   67.7054    8.8178  Cl    
32   H         1.7660   62.5605    7.6950  H     
33   H         0.2156   68.6968    6.8382  H     
34   H         2.6627   65.2322    5.5643  H     
35   H         3.7711   62.8690    8.0795  H     
36   H         4.2179   64.4089    4.1772  H     
37   H         6.0357   62.9067    3.7783  H     
38   H         5.5815   61.3116    7.6724  H     
39   H         4.5544   58.9944    6.2575  H     
40   H         5.1069   57.7957    5.0658  H     
41   H         4.7820   59.4387    4.5636  H     
42   H         8.3243   58.1946    6.1471  H     
43   H         6.8728   57.3455    6.6756  H     
44   H         7.4024   58.7973    7.5341  H     
45   H         0.3706   61.6271    9.3023  H     
46   H        -1.8618   63.2701   10.3120  H     
47   H         0.0673   61.5873   11.9980  H     
48   H        -0.0066   63.3565   11.9779  H     
49   H        -2.4820   61.1188    9.2214  H     
50   H        -1.4441   60.2390   10.3438  H     
51   H        -3.9073   61.9166   11.0721  H     
52   H        -3.7725   60.1694   11.1551  H     
53   H        -2.1294   60.2877   12.9508  H     
54   H        -1.2627   62.3569   13.9073  H     
55   H        -2.2880   63.3417   12.8679  H     
56   H        -4.2558   62.1817   13.6317  H     
57   H        -3.4000   61.1974   14.6450  H     
58   H        -4.4465   60.5382   13.5350  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   23 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   31 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   24   23 1
    28   24   25 1
    29   24   26 1
    30   25   29 1
    31   26   27 1
    32   27   28 1
    33   28   29 1
    34   28   30 1
    35    2   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   10   36 1
    40   11   37 1
    41   13   38 1
    42   18   39 1
    43   18   40 1
    44   18   41 1
    45   19   42 1
    46   19   43 1
    47   19   44 1
    48   23   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   26   49 1
    53   26   50 1
    54   27   51 1
    55   27   52 1
    56   28   53 1
    57   29   54 1
    58   29   55 1
    59   30   56 1
    60   30   57 1
    61   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3876
  Crash		| -1.5280
  Polar		| 3.0397
  FragIndex	| 1
  FragRMSD	| 0.553