@<TRIPOS>MOLECULE
BindingDB_30191
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3427   62.7766  193.5785  C     
2    C        29.8293   62.1633  194.7593  C     
3    N        31.0370   62.5589  195.2387  N     
4    C        31.7917   63.5133  194.6464  C     
5    C        31.3476   64.1367  193.4728  C     
6    C        30.0995   63.7748  192.9157  C     
7    C        29.6054   64.3896  191.7281  C     
8    C        28.2044   64.9365  190.1012  C     
9    N        28.3747   64.1959  191.2083  N     
10   C        30.2580   65.2880  190.8739  C     
11   C        27.1897   66.0378  188.0576  C     
12   C        27.0112   65.0184  189.2339  C     
13   C        29.3780   65.6312  189.8551  C     
14   C        29.4995   66.4628  188.7673  C     
15   N        28.4865   66.6483  187.9313  N     
16   O        30.5458   67.0509  188.5535  O     
17   C        29.1056   61.1640  195.4649  C     
18   C        26.9848   60.2732  196.3349  C     
19   C        27.6610   59.1648  196.8768  C     
20   C        29.0559   59.0572  196.7266  C     
21   C        29.7733   60.0516  196.0363  C     
22   C        27.7026   61.2601  195.6332  C     
23   Cl       26.7974   57.9785  197.7226  Cl    
24   H        28.4471   62.4718  193.1925  H     
25   H        32.6795   63.7837  195.0535  H     
26   H        31.9368   64.8551  193.0459  H     
27   H        27.6947   63.6164  191.5878  H     
28   H        31.2117   65.6422  190.9608  H     
29   H        26.9713   65.5355  187.1121  H     
30   H        26.4620   66.8456  188.1690  H     
31   H        26.8062   64.0217  188.8302  H     
32   H        26.1556   65.3134  189.8484  H     
33   H        28.6220   67.2566  187.1866  H     
34   H        25.9723   60.3668  196.4501  H     
35   H        29.5531   58.2542  197.1198  H     
36   H        30.7830   59.9399  195.9292  H     
37   H        27.1843   62.0633  195.2627  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.6484
  Crash		| -2.5938
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.248