@<TRIPOS>MOLECULE
BindingDB_25410
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4250   90.8926   34.1158  C     
2    C        47.9480   92.2170   34.0533  C     
3    C        48.4376   93.2143   34.9304  C     
4    C        49.3965   92.8460   35.9000  C     
5    C        49.9055   91.5334   35.9397  C     
6    C        49.4427   90.5530   35.0334  C     
7    O        47.9542   89.9588   33.2449  O     
8    O        49.9584   89.2913   35.0205  O     
9    C        51.1543   89.1071   34.3514  C     
10   C        51.9933   88.0443   34.7673  C     
11   C        51.5285   89.8627   33.2151  C     
12   C        52.7310   89.5932   32.5340  C     
13   C        53.5670   88.5415   32.9607  C     
14   C        53.1896   87.7627   34.0765  C     
15   Cl       51.5759   87.0761   36.0940  Cl    
16   Cl       55.0068   88.2167   32.1396  Cl    
17   C        47.9706   94.6299   34.8206  C     
18   C        49.0757   95.7374   34.9238  C     
19   C        50.4722   95.3798   34.3331  C     
20   C        48.5917   97.0751   34.2885  C     
21   H        47.2566   92.4548   33.3391  H     
22   H        49.7424   93.5350   36.5729  H     
23   H        50.6368   91.2935   36.6144  H     
24   H        48.7002   89.7553   32.6472  H     
25   H        50.9260   90.6129   32.8713  H     
26   H        52.9964   90.1577   31.7229  H     
27   H        53.7869   86.9914   34.3787  H     
28   H        47.4243   94.7505   33.8799  H     
29   H        47.2277   94.7981   35.6055  H     
30   H        49.2421   95.9394   35.9860  H     
31   H        50.9265   94.5684   34.9051  H     
32   H        51.1429   96.2461   34.3974  H     
33   H        50.4004   95.0837   33.2866  H     
34   H        48.4465   96.9530   33.2108  H     
35   H        49.3256   97.8665   34.4524  H     
36   H        47.6487   97.3881   34.7387  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   18   19 1
    21   18   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25    7   24 1
    26   11   25 1
    27   12   26 1
    28   14   27 1
    29   17   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4075
  Crash		| -0.7804
  Polar		| 1.2820
  FragIndex	| 1
  FragRMSD	| 0.146