@<TRIPOS>MOLECULE
BindingDB_11391
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3371    4.1434   14.7121  C     
2    C        -3.4698    5.2087   13.8816  C     
3    N        -4.6892    5.6037   13.4092  N     
4    C        -4.8997    5.8250   12.0709  C     
5    C        -4.4830    4.8674   11.1136  C     
6    C        -4.7149    5.0789    9.7431  C     
7    C        -5.3641    6.2513    9.3154  C     
8    C        -5.7821    7.2157   10.2532  C     
9    C        -5.5329    7.0061   11.6244  C     
10   S        -6.0735    5.4098   14.3666  S     
11   O        -6.3205    6.5449   15.4530  O     
12   O        -7.3905    5.0959   13.5331  O     
13   C        -4.4102    3.4552   15.2737  C     
14   C        -5.7107    3.9618   15.2151  C     
15   C        -4.3360    2.2359   15.9817  C     
16   C        -5.5620    1.7848   16.4879  C     
17   S        -6.7754    2.9192   16.0575  S     
18   N        -7.5076    0.2341   17.8213  N     
19   S        -5.9073    0.3191   17.3342  S     
20   O        -5.7495   -0.8781   16.3052  O     
21   O        -4.9566    0.0141   18.5686  O     
22   C        -2.2904    5.9700   13.4354  C     
23   C        -1.4154    8.2052   15.6977  C     
24   C        -2.7249    8.0068   14.8978  C     
25   C        -1.4368    8.2553   12.8134  C     
26   C        -0.1519    8.4335   13.6605  C     
27   N        -2.4890    7.4592   13.5226  N     
28   O        -0.4651    8.9871   14.9516  O     
29   O        -6.3570    8.3759    9.8158  O     
30   C        -7.7938    8.3403    9.8194  C     
31   H        -2.4252    3.8231   14.9459  H     
32   H        -3.9858    4.0226   11.4211  H     
33   H        -4.3977    4.3890    9.0570  H     
34   H        -5.5217    6.4049    8.3176  H     
35   H        -5.8084    7.7230   12.2993  H     
36   H        -3.4662    1.7135   16.1072  H     
37   H        -8.1465   -0.2182   17.2512  H     
38   H        -7.8255    0.8564   18.4899  H     
39   H        -1.3858    5.6863   13.9817  H     
40   H        -2.1269    5.7032   12.3844  H     
41   H        -1.6462    8.7398   16.6181  H     
42   H        -0.9870    7.2368   15.9653  H     
43   H        -3.4053    7.3772   15.4734  H     
44   H        -3.2097    8.9801   14.7955  H     
45   H        -1.8469    9.2459   12.5988  H     
46   H        -1.1794    7.8063   11.8506  H     
47   H         0.3656    7.4772   13.7728  H     
48   H         0.5238    9.1209   13.1502  H     
49   H        -3.3526    7.6443   13.0096  H     
50   H        -8.1802    7.5485    9.1734  H     
51   H        -8.1574    9.2942    9.4387  H     
52   H        -8.1852    8.2042   10.8295  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   13 1
     3    2    3 1
     4    2   22 1
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   29 1
    14   10   11 2
    15   10   12 2
    16   10   14 1
    17   13   14 2
    18   13   15 1
    19   14   17 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   18   19 am
    24   19   20 2
    25   19   21 2
    26   22   27 1
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34    1   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   15   36 1
    40   18   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8713
  Crash		| -4.0062
  Polar		| 1.6336
  FragIndex	| 1
  FragRMSD	| 0.946