@<TRIPOS>MOLECULE
BindingDB_50174765
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.3579   96.4598   34.1687  C     
2    C        50.1760   97.2341   35.0157  C     
3    C        51.0305   96.5952   35.9368  C     
4    C        51.0930   95.1903   35.9876  C     
5    C        50.3145   94.4136   35.1014  C     
6    C        49.4168   95.0530   34.2150  C     
7    O        50.4152   93.0503   35.1060  O     
8    C        51.4552   92.4672   34.4019  C     
9    C        52.0953   93.0732   33.2900  C     
10   C        53.0912   92.3940   32.5644  C     
11   C        53.4573   91.0851   32.9280  C     
12   C        52.8311   90.4702   34.0294  C     
13   C        51.8473   91.1583   34.7678  C     
14   O        48.6371   94.3007   33.3996  O     
15   Cl       50.1235   98.9246   34.9303  Cl    
16   Cl       51.1542   90.3915   36.1136  Cl    
17   N        54.4056   90.4369   32.2260  N     
18   H        48.7272   96.9198   33.5061  H     
19   H        51.6180   97.1466   36.5671  H     
20   H        51.7169   94.7324   36.6550  H     
21   H        51.8469   94.0179   33.0012  H     
22   H        53.5383   92.8590   31.7692  H     
23   H        53.0936   89.5165   34.2915  H     
24   H        48.5788   94.7875   32.5502  H     
25   H        54.6649   89.5337   32.4739  H     
26   H        54.8436   90.8710   31.4752  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   15 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    6   14 1
    10    7    8 1
    11    8    9 2
    12    8   13 1
    13    9   10 1
    14   10   11 2
    15   11   12 1
    16   11   17 1
    17   12   13 2
    18   13   16 1
    19    1   18 1
    20    3   19 1
    21    4   20 1
    22    9   21 1
    23   10   22 1
    24   12   23 1
    25   14   24 1
    26   17   25 1
    27   17   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.7030
  Crash		| -0.6697
  Polar		| 0.0026
  FragIndex	| 1
  FragRMSD	| 0.181