@<TRIPOS>MOLECULE
BindingDB_25419
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.2169   90.8190   34.4088  C     
2    C        47.6359   92.0900   34.5491  C     
3    C        48.1289   93.0197   35.4985  C     
4    C        49.1923   92.6211   36.3453  C     
5    C        49.7638   91.3438   36.2158  C     
6    C        49.3138   90.4545   35.2158  C     
7    O        47.7536   89.9808   33.4580  O     
8    O        49.8599   89.2113   35.0703  O     
9    C        51.0441   89.1139   34.3728  C     
10   C        51.9569   88.1015   34.7519  C     
11   C        51.3343   89.9039   33.2369  C     
12   C        52.5307   89.7109   32.5180  C     
13   C        53.4456   88.7145   32.9103  C     
14   C        53.1503   87.9076   34.0269  C     
15   Cl       51.6296   87.0883   36.0702  Cl    
16   C        47.5606   94.4001   35.5702  C     
17   Cl       54.8696   88.4510   32.0248  Cl    
18   C        48.2938   95.3582   34.6919  C     
19   C        49.3695   97.5369   34.3348  C     
20   C        49.5165   97.2383   32.9699  C     
21   C        49.1073   95.9918   32.4706  C     
22   C        48.4785   95.0661   33.3154  C     
23   C        48.7764   96.5952   35.1938  C     
24   H        46.8661   92.3593   33.9368  H     
25   H        49.5439   93.2596   37.0587  H     
26   H        50.5279   91.0755   36.8279  H     
27   H        48.5505   89.7324   32.9204  H     
28   H        50.6781   90.6244   32.9224  H     
29   H        52.7309   90.2952   31.6988  H     
30   H        53.8016   87.1714   34.3087  H     
31   H        46.5152   94.3975   35.2602  H     
32   H        47.5608   94.7365   36.6108  H     
33   H        49.6682   98.4475   34.7002  H     
34   H        49.9042   97.9339   32.3310  H     
35   H        49.2401   95.7655   31.4847  H     
36   H        48.1616   94.1747   32.9227  H     
37   H        48.6704   96.8306   36.1860  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   17 1
    19   16   18 1
    20   18   22 2
    21   18   23 1
    22   19   20 1
    23   19   23 2
    24   20   21 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7559
  Crash		| -1.4879
  Polar		| 1.3143
  FragIndex	| 1
  FragRMSD	| 0.595