@<TRIPOS>MOLECULE
BindingDB_6625
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3554    8.7571   24.1464  C     
2    C         8.7308    8.6458   24.2967  C     
3    C         9.2653    8.8147   23.0304  C     
4    N         8.2309    9.0217   22.1996  N     
5    N         7.1054    8.9916   22.8462  N     
6    N         6.4764    8.7020   25.1754  N     
7    C         5.1518    8.7464   25.1072  C     
8    O         4.5829    8.6072   24.0393  O     
9    N         4.3469    8.8768   26.1460  N     
10   C         4.5201    9.1959   27.4677  C     
11   C         4.4262    9.8390   30.2525  C     
12   C         3.4314    9.0435   29.6744  C     
13   C         3.4668    8.7421   28.3003  C     
14   C         5.4617   10.3217   29.4353  C     
15   C         5.5274    9.9955   28.0698  C     
16   C         6.5048   11.1229   29.7653  C     
17   C         6.7735   10.5941   27.5584  C     
18   C         7.9113   12.6138   26.8938  C     
19   C         8.1133   12.3989   28.4137  C     
20   C         6.7038   11.7296   26.5202  C     
21   N         7.2664   11.2898   28.6973  N     
22   O         6.6295   11.7201   30.8257  O     
23   C        10.6871    8.7661   22.6554  C     
24   N        11.4040    7.5648   23.1458  N     
25   C        11.1430    6.2087   22.5641  C     
26   C        11.7665    4.4749   20.7597  C     
27   C        10.2653    4.1290   20.5699  C     
28   C         9.4427    4.4062   21.8574  C     
29   C         9.6353    5.8630   22.3589  C     
30   C        11.9725    5.9227   21.2760  C     
31   H         9.2471    8.4879   25.1587  H     
32   H         8.3177    9.1607   21.2394  H     
33   H         6.8617    8.6397   26.0498  H     
34   H         3.4160    8.7240   25.9081  H     
35   H         4.3948   10.0540   31.2523  H     
36   H         2.6732    8.6764   30.2472  H     
37   H         2.7095    8.1671   27.9189  H     
38   H         7.4890    9.8047   27.2872  H     
39   H         7.7077   13.6715   26.6608  H     
40   H         8.8020   12.2966   26.3327  H     
41   H         9.1534   12.1620   28.6420  H     
42   H         7.8108   13.2985   28.9614  H     
43   H         6.7815   11.3898   25.4951  H     
44   H         5.7809   12.2945   26.6351  H     
45   H        10.7955    8.8434   21.5745  H     
46   H        11.1746    9.6419   23.0881  H     
47   H        12.4019    7.7496   22.9947  H     
48   H        11.2637    7.5222   24.1609  H     
49   H        11.5075    5.5175   23.3356  H     
50   H        12.2163    3.7642   21.4602  H     
51   H        12.2725    4.3739   19.7959  H     
52   H         9.8637    4.7248   19.7439  H     
53   H        10.1714    3.0731   20.2995  H     
54   H         8.3871    4.2302   21.6496  H     
55   H         9.7563    3.7097   22.6440  H     
56   H         9.0942    5.9920   23.3022  H     
57   H         9.1922    6.5243   21.6131  H     
58   H        11.6863    6.6097   20.4830  H     
59   H        13.0350    6.0720   21.4987  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    4 1
     6    3   23 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 am
    11    9   10 1
    12   10   13 2
    13   10   15 1
    14   11   12 2
    15   11   14 1
    16   12   13 1
    17   14   15 2
    18   14   16 1
    19   15   17 1
    20   16   21 1
    21   16   22 2
    22   17   20 1
    23   17   21 1
    24   18   19 1
    25   18   20 1
    26   19   21 1
    27   23   24 1
    28   24   25 1
    29   25   29 1
    30   25   30 1
    31   26   27 1
    32   26   30 1
    33   27   28 1
    34   28   29 1
    35    2   31 1
    36    4   32 1
    37    6   33 1
    38    9   34 1
    39   11   35 1
    40   12   36 1
    41   13   37 1
    42   17   38 1
    43   18   39 1
    44   18   40 1
    45   19   41 1
    46   19   42 1
    47   20   43 1
    48   20   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   28   54 1
    59   28   55 1
    60   29   56 1
    61   29   57 1
    62   30   58 1
    63   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5016
  Crash		| -2.4556
  Polar		| 2.6949
  FragIndex	| 1
  FragRMSD	| 1.150