@<TRIPOS>MOLECULE
BindingDB_50137816
 40 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        72.9926   -9.7080  135.6003  C     
2    N        73.4285   -9.6599  134.3195  N     
3    O        72.7763   -8.5252  136.2387  O     
4    C        73.4486  -10.7578  133.3920  C     
5    O        72.6996  -10.8825  136.2074  O     
6    C        72.2062   -8.1497  137.5099  C     
7    O        75.7570  -10.8314  133.1580  O     
8    C        74.6669  -10.6580  132.6174  C     
9    C        72.0577  -10.8648  132.6363  C     
10   C        73.3481   -8.0854  138.5611  C     
11   C        71.6118   -6.7252  137.3221  C     
12   C        71.0828   -9.0999  138.0248  C     
13   C        71.4895   -9.5538  131.9824  C     
14   C        71.9198  -12.0765  131.6436  C     
15   C        72.3681  -11.7765  130.1866  C     
16   C        71.9932   -9.2714  130.5405  C     
17   C        71.7004  -10.4966  129.6379  C     
18   H        73.5597   -8.7740  133.9435  H     
19   H        73.5261  -11.7007  133.9500  H     
20   H        74.6507  -10.6856  131.6350  H     
21   H        71.3267  -11.0802  133.4321  H     
22   H        73.8712   -9.0409  138.5994  H     
23   H        72.9542   -7.8636  139.5555  H     
24   H        74.0675   -7.3103  138.3013  H     
25   H        72.4010   -6.0158  137.0687  H     
26   H        71.1221   -6.3735  138.2358  H     
27   H        70.8749   -6.7179  136.5123  H     
28   H        70.2810   -9.1921  137.2795  H     
29   H        70.6446   -8.7295  138.9571  H     
30   H        71.4967  -10.1000  138.1992  H     
31   H        70.3877   -9.6353  131.9251  H     
32   H        71.6901   -8.6698  132.6004  H     
33   H        72.4834  -12.9315  132.0291  H     
34   H        70.8703  -12.3843  131.6146  H     
35   H        73.4377  -11.6409  130.1272  H     
36   H        72.1003  -12.6291  129.5399  H     
37   H        71.4724   -8.3947  130.1429  H     
38   H        73.0610   -9.0500  130.5609  H     
39   H        72.0649  -10.2924  128.6317  H     
40   H        70.6184  -10.6415  129.5825  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    5 2
     4    2    4 1
     5    3    6 1
     6    4    8 1
     7    4    9 1
     8    6   10 1
     9    6   11 1
    10    6   12 1
    11    7    8 2
    12    9   13 1
    13    9   14 1
    14   13   16 1
    15   14   15 1
    16   15   17 1
    17   16   17 1
    18    2   18 1
    19    4   19 1
    20    8   20 1
    21    9   21 1
    22   10   22 1
    23   10   23 1
    24   10   24 1
    25   11   25 1
    26   11   26 1
    27   11   27 1
    28   12   28 1
    29   12   29 1
    30   12   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   16   37 1
    38   16   38 1
    39   17   39 1
    40   17   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6817
  Crash		| -0.5407
  Polar		| 2.9588
  FragIndex	| 1
  FragRMSD	| 0.704