@<TRIPOS>MOLECULE
BindingDB_50181971
 38 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.6275   11.8147    3.7876  N     
2    C         0.0281   11.5279    4.9825  C     
3    N         0.7085   10.8154    5.9160  N     
4    C         1.8848   11.3792    3.4772  C     
5    C         2.5685   10.6303    4.4484  C     
6    C         1.9694   10.3810    5.6715  C     
7    N         2.8118    9.6175    6.4249  N     
8    C         3.8806    9.3864    5.6474  C     
9    C         3.7660    9.9999    4.4658  C     
10   C         2.6002    9.0918    7.6847  C     
11   C         1.6276    9.5624    8.6156  C     
12   C         1.4339    8.8954    9.8347  C     
13   C         2.2418    7.7857   10.1767  C     
14   C         3.2340    7.3736    9.2697  C     
15   N         3.3592    8.0223    8.0899  N     
16   N        -1.2150   12.0001    5.2081  N     
17   C        -1.9829   11.8616    6.3242  C     
18   C        -2.1339   10.6511    7.0536  C     
19   C        -3.6381   12.9384    7.7912  C     
20   C        -2.7541   12.9953    6.6980  C     
21   C        -3.7937   11.7283    8.4800  C     
22   C        -3.0681   10.5990    8.1136  C     
23   O        -3.3711    9.5406    8.8817  O     
24   C        -4.5153   10.0366    9.6128  C     
25   O        -4.6321   11.4619    9.5047  O     
26   H         2.2984   11.5645    2.5646  H     
27   H         4.6572    8.8180    5.8874  H     
28   H         4.4163    9.9550    3.7043  H     
29   H         1.0586   10.3890    8.4200  H     
30   H         0.7145    9.2183   10.4947  H     
31   H         2.0953    7.2866   11.0599  H     
32   H         3.8242    6.5656    9.4765  H     
33   H        -1.5789   12.5789    4.5213  H     
34   H        -1.6132    9.8082    6.7929  H     
35   H        -4.1656   13.7697    8.0638  H     
36   H        -2.6599   13.8542    6.1665  H     
37   H        -5.4235    9.5720    9.2171  H     
38   H        -4.4160    9.7555   10.6616  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   16 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11    7   10 1
    12    8    9 2
    13   10   11 2
    14   10   15 1
    15   11   12 1
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   16   17 1
    20   17   18 2
    21   17   20 1
    22   18   22 1
    23   19   20 2
    24   19   21 1
    25   21   22 2
    26   21   25 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30    4   26 1
    31    8   27 1
    32    9   28 1
    33   11   29 1
    34   12   30 1
    35   13   31 1
    36   14   32 1
    37   16   33 1
    38   18   34 1
    39   19   35 1
    40   20   36 1
    41   24   37 1
    42   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8806
  Crash		| -0.8092
  Polar		| 2.1772
  FragIndex	| 1
  FragRMSD	| 0.322