@<TRIPOS>MOLECULE
BindingDB_29037
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.3379   34.0418   36.0383  C     
2    C        38.7537   32.8152   36.5926  C     
3    C        38.6128   32.5689   37.9784  C     
4    C        38.0684   33.5809   38.7899  C     
5    C        37.6739   34.8082   38.2437  C     
6    C        37.7898   35.0564   36.8642  C     
7    C        39.0509   31.3777   38.6123  C     
8    N        37.3738   36.2988   36.4890  N     
9    C        37.3512   36.9311   35.3195  C     
10   C        36.9482   38.2352   35.2941  C     
11   O        37.6768   36.3546   34.2813  O     
12   C        37.3355   39.1321   36.2433  C     
13   C        36.1384   38.5601   34.3756  C     
14   N        35.4248   38.8705   33.5160  N     
15   C        36.9066   40.5367   36.3056  C     
16   O        38.2513   38.7753   37.1420  O     
17   C        38.5624   30.0849   38.2577  C     
18   C        38.9476   28.9668   39.0354  C     
19   C        39.8073   29.1012   40.1360  C     
20   C        40.3268   30.3654   40.4553  C     
21   C        39.9469   31.4950   39.7032  C     
22   Cl       37.5322   29.8325   36.9397  Cl    
23   H        38.4491   34.1938   35.0280  H     
24   H        39.1713   32.1086   35.9879  H     
25   H        37.9603   33.4492   39.7945  H     
26   H        37.3311   35.5277   38.8744  H     
27   H        37.0443   36.8492   37.2147  H     
28   H        37.3417   41.0914   35.4727  H     
29   H        37.2388   41.0109   37.2360  H     
30   H        35.8192   40.6119   36.2726  H     
31   H        39.1017   38.7992   36.6361  H     
32   H        38.6092   28.0317   38.8023  H     
33   H        40.0771   28.2763   40.6815  H     
34   H        40.9816   30.4578   41.2330  H     
35   H        40.3120   32.4080   39.9817  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6    8 1
     9    7   17 2
    10    7   21 1
    11    8    9 am
    12    9   10 1
    13    9   11 2
    14   10   12 2
    15   10   13 1
    16   12   15 1
    17   12   16 1
    18   13   14 3
    19   17   18 1
    20   17   22 1
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24    1   23 1
    25    2   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29   15   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   18   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.9715
  Crash		| -7.9177
  Polar		| 3.9523
  FragIndex	| 1
  FragRMSD	| 0.624