@<TRIPOS>MOLECULE
BindingDB_50138663
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -6.6243   32.2309   32.9558  C     
2    C        -6.8083   31.3724   34.0596  C     
3    C        -8.0343   31.2137   34.6305  C     
4    N        -5.4159   32.6866   32.5477  N     
5    C        -8.2523   30.3320   35.7009  C     
6    C        -5.7499   30.6389   34.5879  C     
7    C        -7.1581   29.5531   36.1669  C     
8    C        -5.9047   29.7449   35.5857  C     
9    N        -7.6359   32.6783   32.1806  N     
10   C        -9.5102   30.2256   36.3377  C     
11   C        -7.3610   28.6401   37.2258  C     
12   C        -9.6835   29.3407   37.4177  C     
13   C        -8.6179   28.5340   37.8475  C     
14   H        -8.8123   31.7526   34.3238  H     
15   H        -5.3546   33.2137   31.7372  H     
16   H        -4.8297   30.7356   34.2181  H     
17   H        -5.1130   29.2345   35.9121  H     
18   H        -7.4366   33.2572   31.4210  H     
19   H        -8.5575   32.4187   32.3488  H     
20   H       -10.3034   30.7930   36.0248  H     
21   H        -6.5991   28.0477   37.5486  H     
22   H       -10.5960   29.2692   37.8750  H     
23   H        -8.7538   27.8706   38.6145  H     
24   H        -4.6092   32.4619   33.0329  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    9 1
     4    2    3 2
     5    2    6 1
     6    3    5 1
     7    5    7 1
     8    5   10 2
     9    6    8 2
    10    7    8 1
    11    7   11 2
    12   10   12 1
    13   11   13 1
    14   12   13 2
    15    3   14 1
    16    4   15 1
    17    6   16 1
    18    8   17 1
    19    9   18 1
    20    9   19 1
    21   10   20 1
    22   11   21 1
    23   12   22 1
    24   13   23 1
    25    4   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7666
  Crash		| -0.7776
  Polar		| 3.6518
  FragIndex	| 1
  FragRMSD	| 0.714