@<TRIPOS>MOLECULE
BindingDB_11449
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.2051   -9.8344    8.5720  C     
2    C         9.0917   -9.7218    9.6551  C     
3    C         9.4138  -10.8455   10.4593  C     
4    C         8.7184  -12.0520   10.2149  C     
5    C         7.8437  -12.1743    9.1177  C     
6    C         7.6116  -11.0737    8.2681  C     
7    N        10.3613  -10.8777   11.4400  N     
8    C        11.4550  -10.1153   11.6447  C     
9    C        11.9883   -9.3098   10.6941  C     
10   C        13.2043   -8.6388   10.8968  C     
11   C        13.3867   -9.7233   12.9687  C     
12   C        12.9673  -10.9390   14.6493  C     
13   N        13.8984   -8.8767   12.0436  N     
14   N        12.1875  -10.3168   12.7679  N     
15   N        11.9289  -11.0591   13.8044  N     
16   N        13.8900  -10.1066   14.1459  N     
17   N         6.4968   -9.8698    5.8695  N     
18   S         6.6823  -11.2520    6.8089  S     
19   O         7.4358  -12.2957    5.8785  O     
20   O         5.2676  -11.9375    7.0316  O     
21   C        13.1564   -7.2426    8.8085  C     
22   C        15.3284   -6.2737    7.7817  C     
23   C        15.2979   -7.3585    6.6749  C     
24   C        14.5516   -8.6347    7.1369  C     
25   C        13.1349   -8.3067    7.6670  C     
26   C        13.9097   -5.9683    8.3284  C     
27   N        13.7423   -7.7430   10.0284  N     
28   H         8.0234   -9.0110    7.9924  H     
29   H         9.4876   -8.8023    9.8374  H     
30   H         8.9021  -12.8788   10.7914  H     
31   H         7.3995  -13.0769    8.9309  H     
32   H        10.2879  -11.6405   12.0364  H     
33   H        11.5721   -9.2579    9.8074  H     
34   H        13.0427  -11.4157   15.5469  H     
35   H         7.0442   -9.7429    5.0775  H     
36   H         5.8641   -9.1840    6.1348  H     
37   H        12.1274   -6.9307    9.0159  H     
38   H        15.9704   -6.6033    8.6040  H     
39   H        15.7597   -5.3579    7.3725  H     
40   H        14.8075   -6.9531    5.7832  H     
41   H        16.3216   -7.6261    6.4087  H     
42   H        14.4801   -9.3333    6.2990  H     
43   H        15.1216   -9.1211    7.9324  H     
44   H        12.6702   -9.2303    8.0139  H     
45   H        12.5283   -7.9331    6.8374  H     
46   H        13.3253   -5.4879    7.5362  H     
47   H        13.9873   -5.2522    9.1526  H     
48   H        14.5806   -7.3377   10.3038  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   27 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   21   25 1
    25   21   26 1
    26   21   27 1
    27   22   23 1
    28   22   26 1
    29   23   24 1
    30   24   25 1
    31    1   28 1
    32    2   29 1
    33    4   30 1
    34    5   31 1
    35    7   32 1
    36    9   33 1
    37   12   34 1
    38   17   35 1
    39   17   36 1
    40   21   37 1
    41   22   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   25   45 1
    49   26   46 1
    50   26   47 1
    51   27   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0871
  Crash		| -1.3408
  Polar		| 4.2138
  FragIndex	| 1
  FragRMSD	| 0.700