@<TRIPOS>MOLECULE
BindingDB_10850
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        92.0985   68.4371   -3.6596  C     
2    C        91.1064   67.9126   -4.4809  C     
3    N        93.3467   68.7459   -4.1313  N     
4    N        92.6797   67.9540   -6.2765  N     
5    C        93.6033   68.5014   -5.4357  C     
6    C        91.4334   67.6765   -5.8131  C     
7    N        91.5996   68.6075   -2.4294  N     
8    N        89.9917   67.7974   -3.7245  N     
9    C        90.3177   68.2095   -2.4799  C     
10   O        94.7086   68.8188   -5.8686  O     
11   O        90.5463   67.2067   -6.5176  O     
12   C        93.0333   67.6906   -7.6770  C     
13   C        94.2736   69.3621   -3.2051  C     
14   O        92.3645   67.3431  -10.7071  O     
15   C        92.4406   66.1461  -10.4485  C     
16   C        88.6827   67.3630   -4.1128  C     
17   C        93.7605   65.5579  -10.2610  C     
18   C        91.2042   65.4003  -10.3093  C     
19   C        94.0642   66.5257   -7.8199  C     
20   C        94.6586   66.3192   -9.2469  C     
21   H        89.6878   68.2407   -1.6743  H     
22   H        92.1550   67.4339   -8.2760  H     
23   H        93.4361   68.6051   -8.1272  H     
24   H        93.8846   70.3303   -2.8798  H     
25   H        95.2666   69.5331   -3.6226  H     
26   H        94.4015   68.7274   -2.3264  H     
27   H        88.3510   67.9166   -4.9928  H     
28   H        87.9502   67.5299   -3.3158  H     
29   H        88.7077   66.2971   -4.3432  H     
30   H        93.6795   64.5124   -9.9410  H     
31   H        94.2626   65.5548  -11.2344  H     
32   H        90.6242   65.8078   -9.4774  H     
33   H        91.3853   64.3417  -10.1160  H     
34   H        90.6198   65.4833  -11.2273  H     
35   H        94.9037   66.7323   -7.1504  H     
36   H        93.6061   65.5891   -7.4748  H     
37   H        95.5722   65.7311   -9.1408  H     
38   H        94.9534   67.2808   -9.6674  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    7 1
     4    2    6 1
     5    2    8 1
     6    3    5 1
     7    3   13 1
     8    4    5 1
     9    4    6 1
    10    4   12 1
    11    5   10 2
    12    6   11 2
    13    7    9 2
    14    8    9 1
    15    8   16 1
    16   12   19 1
    17   14   15 2
    18   15   17 1
    19   15   18 1
    20   17   20 1
    21   19   20 1
    22    9   21 1
    23   12   22 1
    24   12   23 1
    25   13   24 1
    26   13   25 1
    27   13   26 1
    28   16   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   17   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1108
  Crash		| -1.5545
  Polar		| 1.3565
  FragIndex	| 1
  FragRMSD	| 0.600