@<TRIPOS>MOLECULE
BindingDB_29033
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.0072   33.6440   36.0902  C     
2    C        38.4800   32.5179   36.8212  C     
3    C        38.5876   32.5351   38.2268  C     
4    C        38.2196   33.7031   38.9189  C     
5    C        37.7691   34.8256   38.2240  C     
6    C        37.6749   34.8392   36.8110  C     
7    C        39.1341   31.4505   38.9495  C     
8    N        37.2387   36.0643   36.3707  N     
9    C        37.4209   36.8055   35.2866  C     
10   C        36.9984   38.1014   35.3306  C     
11   O        37.9514   36.3953   34.2701  O     
12   C        37.4370   38.9579   36.2896  C     
13   C        36.1224   38.4491   34.4560  C     
14   N        35.3523   38.7737   33.6696  N     
15   C        36.9091   40.3018   36.4960  C     
16   O        38.3770   38.5829   37.1646  O     
17   C        38.5165   30.1800   38.9918  C     
18   C        39.0011   29.1878   39.8726  C     
19   C        40.1307   29.4412   40.6656  C     
20   C        40.7710   30.6847   40.5872  C     
21   C        40.2799   31.6814   39.7367  C     
22   C        37.8520   33.4867   34.6163  C     
23   Cl       38.2187   27.7032   40.0540  Cl    
24   F        36.7331   34.1429   34.1890  F     
25   F        38.9699   33.9423   33.9625  F     
26   F        37.6729   32.1849   34.2057  F     
27   H        38.7765   31.6669   36.3294  H     
28   H        38.3054   33.7609   39.9379  H     
29   H        37.5471   35.6564   38.7846  H     
30   H        36.7926   36.5646   37.0656  H     
31   H        37.1352   40.9177   35.6242  H     
32   H        37.3469   40.7787   37.3757  H     
33   H        35.8279   40.2617   36.6507  H     
34   H        38.9777   37.9680   36.7002  H     
35   H        37.6900   29.9989   38.4207  H     
36   H        40.4847   28.7337   41.3118  H     
37   H        41.5794   30.8869   41.1721  H     
38   H        40.7500   32.5894   39.7179  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6    8 1
    10    7   17 2
    11    7   21 1
    12    8    9 am
    13    9   10 1
    14    9   11 2
    15   10   12 2
    16   10   13 1
    17   12   15 1
    18   12   16 1
    19   13   14 3
    20   17   18 1
    21   18   19 2
    22   18   23 1
    23   19   20 1
    24   20   21 2
    25   22   24 1
    26   22   25 1
    27   22   26 1
    28    2   27 1
    29    4   28 1
    30    5   29 1
    31    8   30 1
    32   15   31 1
    33   15   32 1
    34   15   33 1
    35   16   34 1
    36   17   35 1
    37   19   36 1
    38   20   37 1
    39   21   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.9918
  Crash		| -9.2268
  Polar		| 3.6062
  FragIndex	| 1
  FragRMSD	| 0.662