@<TRIPOS>MOLECULE
BindingDB_29034
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.5415   35.0127   38.3561  C     
2    C        37.8654   33.7251   38.8233  C     
3    C        38.1813   32.6393   37.9522  C     
4    C        37.8715   32.8854   36.5903  C     
5    C        37.5014   34.1583   36.1179  C     
6    C        37.4288   35.2640   36.9784  C     
7    C        38.8364   31.4674   38.5277  C     
8    N        37.1883   36.5347   36.5567  N     
9    C        37.2498   37.0747   35.3422  C     
10   C        36.9955   38.4057   35.2223  C     
11   O        37.6036   36.4533   34.3463  O     
12   C        37.3794   39.2843   36.1784  C     
13   C        36.3248   38.7710   34.1891  C     
14   N        35.7523   39.0764   33.2426  N     
15   C        36.9478   40.6704   36.2541  C     
16   O        38.1892   38.8777   37.1565  O     
17   C        38.5733   30.0637   38.3372  C     
18   C        39.1125   29.1352   39.2476  C     
19   C        40.0039   29.5136   40.2641  C     
20   C        40.4432   30.8362   40.3127  C     
21   C        39.8791   31.7833   39.4505  C     
22   Cl       37.7867   29.2890   37.0253  Cl    
23   Cl       37.9260   31.7739   35.3616  Cl    
24   H        37.4060   35.7671   39.0378  H     
25   H        37.9316   33.6127   39.8369  H     
26   H        37.2759   34.2845   35.1301  H     
27   H        37.0265   37.1686   37.2659  H     
28   H        37.3024   41.2043   35.3753  H     
29   H        37.3444   41.1705   37.1365  H     
30   H        35.8570   40.7277   36.2994  H     
31   H        39.0567   38.7307   36.7228  H     
32   H        38.8796   28.1440   39.1858  H     
33   H        40.3884   28.8248   40.9035  H     
34   H        41.1683   31.1125   40.9775  H     
35   H        40.2264   32.7395   39.5558  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    4   23 1
     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   17   22 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25    1   24 1
    26    2   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	| 3.0114
  Crash		| -7.5951
  Polar		| 3.6581
  FragIndex	| 1
  FragRMSD	| 0.715