@<TRIPOS>MOLECULE
BindingDB_25423
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4023   90.8739   34.1200  C     
2    C        47.9119   92.1902   34.0956  C     
3    C        48.4900   93.1906   34.9132  C     
4    C        49.5576   92.8350   35.7715  C     
5    C        50.0349   91.5148   35.8124  C     
6    C        49.4864   90.5388   34.9550  C     
7    O        47.8654   89.9535   33.2839  O     
8    O        49.9766   89.2648   34.9087  O     
9    C        51.1677   89.0666   34.2486  C     
10   C        52.0167   88.0429   34.7290  C     
11   C        51.5467   89.7696   33.0744  C     
12   C        52.7688   89.4962   32.4284  C     
13   C        53.6154   88.4896   32.9350  C     
14   C        53.2336   87.7624   34.0771  C     
15   Cl       51.5877   87.1266   36.0865  Cl    
16   C        48.0087   94.5220   34.8631  C     
17   C        46.6351   94.8043   35.0575  C     
18   C        46.1636   96.1286   35.0195  C     
19   C        48.8772   95.6149   34.6243  C     
20   C        47.0763   97.1657   34.7707  C     
21   N        48.3915   96.8820   34.5831  N     
22   Cl       55.0893   88.1552   32.1656  Cl    
23   H        47.1490   92.4208   33.4519  H     
24   H        49.9860   93.5358   36.3833  H     
25   H        50.7997   91.2703   36.4458  H     
26   H        48.6157   89.6535   32.7305  H     
27   H        50.9385   90.4923   32.6810  H     
28   H        53.0314   90.0239   31.5976  H     
29   H        53.8438   87.0211   34.4320  H     
30   H        45.9708   94.0476   35.2474  H     
31   H        45.1781   96.3288   35.1705  H     
32   H        49.8771   95.4679   34.4653  H     
33   H        46.7586   98.1365   34.7398  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   16 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   22 1
    19   16   17 1
    20   16   19 2
    21   17   18 2
    22   18   20 1
    23   19   21 1
    24   20   21 2
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28    7   26 1
    29   11   27 1
    30   12   28 1
    31   14   29 1
    32   17   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9952
  Crash		| -1.1221
  Polar		| 1.2820
  FragIndex	| 1
  FragRMSD	| 0.100