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


@<TRIPOS>ATOM
1    C         8.3045   -9.7965    8.8593  C     
2    C         9.3548   -9.7562    9.7935  C     
3    C         9.7400  -10.9198   10.5064  C     
4    C         8.9991  -12.1054   10.3063  C     
5    C         7.9642  -12.1548    9.3547  C     
6    C         7.6210  -11.0049    8.6129  C     
7    N        10.7707  -10.9823   11.3921  N     
8    C        11.8142  -10.1546   11.5654  C     
9    C        12.3998   -9.4779   10.5456  C     
10   C        13.5473   -8.6983   10.7597  C     
11   C        13.4868   -9.3484   13.0236  C     
12   C        12.9284  -10.2957   14.8355  C     
13   N        14.0582   -8.6403   12.0206  N     
14   N        12.3968  -10.1056   12.7840  N     
15   N        12.0514  -10.6875   13.8961  N     
16   N        13.8348   -9.4581   14.3093  N     
17   N         4.8938  -11.5083    8.1535  N     
18   S         6.3501  -11.0965    7.4272  S     
19   O         6.1486   -9.7016    6.6894  O     
20   O         6.6650  -12.1921    6.3192  O     
21   N        14.2784   -8.0318    9.8290  N     
22   C        14.2802   -8.0857    8.3872  C     
23   C        15.4761   -7.2112    7.8830  C     
24   C        15.2460   -5.6902    8.1242  C     
25   C        13.8961   -5.1780    7.5421  C     
26   C        12.7088   -6.0976    7.9518  C     
27   C        12.9999   -7.5885    7.6488  C     
28   N        13.9746   -5.0403    6.0776  N     
29   H         8.0505   -8.9393    8.3621  H     
30   H         9.8151   -8.8607    9.9694  H     
31   H         9.2368  -12.9579   10.8238  H     
32   H         7.4660  -13.0372    9.2071  H     
33   H        10.7643  -11.7633   11.9709  H     
34   H        12.0213   -9.5503    9.6446  H     
35   H        12.9015  -10.5844   15.8131  H     
36   H         4.1411  -10.9002    8.0888  H     
37   H         4.9046  -12.1614    8.8700  H     
38   H        15.0109   -7.5171   10.1998  H     
39   H        14.4676   -9.1241    8.0950  H     
40   H        16.3953   -7.5116    8.3918  H     
41   H        15.6342   -7.3837    6.8144  H     
42   H        15.2581   -5.4957    9.2005  H     
43   H        16.0729   -5.1239    7.6869  H     
44   H        13.7078   -4.1760    7.9386  H     
45   H        12.5230   -5.9869    9.0244  H     
46   H        11.8022   -5.7893    7.4245  H     
47   H        13.1412   -7.7093    6.5706  H     
48   H        12.1384   -8.1964    7.8964  H     
49   H        14.7619   -4.4325    5.8364  H     
50   H        13.1085   -4.6212    5.7234  H     
51   H        14.1121   -5.9583    5.6452  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	| 9.3616
  Crash		| -1.7271
  Polar		| 4.3605
  FragIndex	| 1
  FragRMSD	| 1.016