@<TRIPOS>MOLECULE
BindingDB_11451
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.9489  -12.9146    9.5206  C     
2    C         9.0184  -12.6848   10.4044  C     
3    C         9.6709  -11.4374   10.4615  C     
4    C         9.1589  -10.3866    9.6600  C     
5    C         8.0826  -10.6061    8.7798  C     
6    C         7.4961  -11.8800    8.6774  C     
7    N        10.7244  -11.3493   11.3137  N     
8    C        11.6730  -10.4122   11.4565  C     
9    C        12.2020   -9.7125   10.4236  C     
10   C        13.2412   -8.7690   10.6194  C     
11   C        13.2298   -9.3981   12.9146  C     
12   C        12.7555  -10.3349   14.7448  C     
13   N        13.7261   -8.6605   11.8941  N     
14   N        12.2359  -10.2732   12.6795  N     
15   N        11.9326  -10.8403   13.8109  N     
16   N        13.5789   -9.4250   14.2069  N     
17   N         4.7176  -12.3167    8.2641  N     
18   S         6.2228  -12.2063    7.5278  S     
19   O         6.1294  -11.0413    6.4412  O     
20   O         6.4587  -13.5641    6.7274  O     
21   N        13.7941   -7.9870    9.6121  N     
22   C        13.6180   -8.3492    8.2069  C     
23   C        14.5056   -7.7028    7.1047  C     
24   C        14.5289   -6.7807    9.9745  C     
25   C        13.8378   -5.8927   11.0461  C     
26   H         7.5101  -13.8423    9.4889  H     
27   H         9.3425  -13.4625   10.9830  H     
28   H         9.5471   -9.4508    9.7217  H     
29   H         7.7368   -9.8288    8.2113  H     
30   H        10.8117  -12.1061   11.9232  H     
31   H        11.8553   -9.8770    9.5046  H     
32   H        12.7406  -10.5933   15.7306  H     
33   H         3.9730  -11.7747    7.9496  H     
34   H         4.6587  -12.7275    9.1422  H     
35   H        13.8291   -9.4184    8.0953  H     
36   H        12.5727   -8.1838    7.9419  H     
37   H        14.3372   -6.6286    7.0193  H     
38   H        14.2658   -8.1511    6.1319  H     
39   H        15.5614   -7.8952    7.3212  H     
40   H        15.5277   -7.0608   10.3181  H     
41   H        14.6786   -6.1131    9.1251  H     
42   H        12.8408   -5.6275   10.6978  H     
43   H        14.4091   -4.9764   11.1938  H     
44   H        13.7582   -6.3966   12.0132  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   21   22 1
    25   21   24 1
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    7   30 1
    33    9   31 1
    34   12   32 1
    35   17   33 1
    36   17   34 1
    37   22   35 1
    38   22   36 1
    39   23   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5836
  Crash		| -2.0414
  Polar		| 2.8577
  FragIndex	| 1
  FragRMSD	| 0.639