@<TRIPOS>MOLECULE
BindingDB_11452
 51 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.5733   -9.9040    8.9362  C     
2    C         9.6137  -10.0865    9.8675  C     
3    C         9.8888  -11.3825   10.3731  C     
4    C         9.0835  -12.4674    9.9664  C     
5    C         8.0837  -12.2944    8.9938  C     
6    C         7.8241  -11.0118    8.4618  C     
7    N        10.9281  -11.6433   11.2036  N     
8    C        11.9962  -10.8614   11.4572  C     
9    C        12.7472  -10.3072   10.4713  C     
10   C        13.7027   -9.3212   10.7934  C     
11   C        13.2745   -9.7171   13.0730  C     
12   C        12.3510  -10.3613   14.8670  C     
13   N        13.9616   -9.0693   12.1093  N     
14   N        12.3109  -10.5949   12.7481  N     
15   N        11.7409  -10.9890   13.8449  N     
16   N        13.3212   -9.5664   14.4067  N     
17   N         7.2371  -10.4351    5.7396  N     
18   S         6.5921  -10.8083    7.2435  S     
19   O         5.5797  -12.0337    7.1218  O     
20   O         5.7778   -9.5294    7.7080  O     
21   N        14.3811   -8.4582    9.9995  N     
22   C        14.2403   -8.0553    8.6320  C     
23   C        13.9414   -6.5194    8.5808  C     
24   C        13.9805   -5.9644    7.1286  C     
25   C        13.0868   -6.7789    6.1467  C     
26   C        13.3323   -8.3141    6.2658  C     
27   C        13.2107   -8.7996    7.7333  C     
28   N        13.3356   -6.3549    4.7591  N     
29   H         8.3735   -8.9694    8.5688  H     
30   H        10.2224   -9.2885   10.1683  H     
31   H         9.2672  -13.4135   10.3166  H     
32   H         7.5621  -13.1100    8.6742  H     
33   H        10.8707  -12.4773   11.6965  H     
34   H        12.5097  -10.5321    9.5238  H     
35   H        12.0926  -10.4621   15.8471  H     
36   H         6.6760   -9.9835    5.0863  H     
37   H         8.0383  -10.8920    5.4444  H     
38   H        14.9898   -7.8782   10.4905  H     
39   H        15.2412   -8.1885    8.1866  H     
40   H        12.9442   -6.3465    9.0202  H     
41   H        14.6765   -5.9762    9.1805  H     
42   H        13.6419   -4.9274    7.1408  H     
43   H        15.0180   -5.9835    6.7773  H     
44   H        12.0371   -6.5792    6.3822  H     
45   H        12.5906   -8.8562    5.6613  H     
46   H        14.3266   -8.5648    5.8730  H     
47   H        13.4273   -9.8765    7.7767  H     
48   H        12.1838   -8.5999    8.0779  H     
49   H        13.0209   -5.3856    4.6559  H     
50   H        12.8142   -6.9541    4.1254  H     
51   H        14.3420   -6.4180    4.5481  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
    53   28   50 1
    54   28   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4051
  Crash		| -0.6317
  Polar		| 5.5129
  FragIndex	| 1
  FragRMSD	| 0.985