@<TRIPOS>MOLECULE
BindingDB_7130
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.3760   45.8744   22.2250  C     
2    C        12.6224   45.7351   23.3791  C     
3    C        11.5004   46.5538   23.2143  C     
4    N        12.6985   46.7214   21.4386  N     
5    N        11.6051   47.1268   22.0072  N     
6    N        10.4356   46.8453   24.0069  N     
7    C        10.1633   46.3986   25.2296  C     
8    O        10.9201   45.6056   25.7881  O     
9    C        14.6551   45.2634   21.8203  C     
10   C        15.8315   45.4409   22.8018  C     
11   C        15.2938   44.0388   22.4961  C     
12   C         9.0410   46.8436   25.9483  C     
13   C         8.6582   48.2121   25.9676  C     
14   C         8.2872   45.9523   26.7662  C     
15   C         7.1951   46.3905   27.5468  C     
16   C         6.8298   47.7587   27.5435  C     
17   C         7.5729   48.6596   26.7686  C     
18   O         5.8000   48.1390   28.3727  O     
19   C         4.5703   48.5040   27.7304  C     
20   H        12.8536   45.1566   24.1895  H     
21   H        12.9855   46.9927   20.5535  H     
22   H         9.7860   47.4579   23.6138  H     
23   H        14.9559   45.4228   20.7848  H     
24   H        16.8105   45.6493   22.3587  H     
25   H        15.6362   45.7671   23.8235  H     
26   H        14.7353   43.5624   23.3053  H     
27   H        15.9266   43.4272   21.8528  H     
28   H         9.1639   48.9162   25.4241  H     
29   H         8.5293   44.9517   26.8080  H     
30   H         6.6816   45.7240   28.1406  H     
31   H         7.3761   49.6594   26.7869  H     
32   H         4.6513   49.5079   27.2838  H     
33   H         3.7667   48.5376   28.4861  H     
34   H         4.2816   47.7800   26.9515  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20   16   18 1
    21   18   19 1
    22    2   20 1
    23    4   21 1
    24    6   22 1
    25    9   23 1
    26   10   24 1
    27   10   25 1
    28   11   26 1
    29   11   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   19   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8507
  Crash		| -0.4966
  Polar		| 3.3844
  FragIndex	| 1
  FragRMSD	| 0.170