@<TRIPOS>MOLECULE
BindingDB_15698
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.1200   55.0839   58.8122  C     
2    C        44.2514   54.7411   58.0604  C     
3    C        44.4361   53.4131   57.6523  C     
4    C        43.5004   52.4264   58.0174  C     
5    C        42.3736   52.7288   58.8281  C     
6    C        42.1997   54.0900   59.1929  C     
7    C        40.2004   52.0564   59.8275  C     
8    C        41.6532   50.4306   59.2623  C     
9    C        40.5741   49.6894   59.8532  C     
10   C        39.4276   50.7194   59.8846  C     
11   N        41.4681   51.7486   59.2400  N     
12   O        42.6850   49.8442   58.9663  O     
13   C        38.4562   50.6048   60.9668  C     
14   O        38.2134   49.5059   61.4532  O     
15   N        37.6629   51.6386   61.2207  N     
16   C        36.5413   51.6550   61.9944  C     
17   C        35.4279   50.7869   61.7952  C     
18   C        34.3124   50.9062   62.6706  C     
19   C        34.2775   51.9128   63.6545  C     
20   C        35.3520   52.8006   63.7988  C     
21   C        36.4794   52.6706   62.9733  C     
22   Cl       32.9617   49.8851   62.5823  Cl    
23   C        35.3760   49.8087   60.6685  C     
24   H        42.9732   56.0532   59.0964  H     
25   H        44.9302   55.4604   57.8020  H     
26   H        45.2453   53.1634   57.0797  H     
27   H        43.6511   51.4824   57.6644  H     
28   H        41.4044   54.3823   59.7621  H     
29   H        39.6470   52.7820   59.2220  H     
30   H        40.3525   52.4605   60.8346  H     
31   H        40.3058   48.8180   59.2471  H     
32   H        40.8653   49.3667   60.8581  H     
33   H        38.8693   50.6171   58.9456  H     
34   H        37.9343   52.4941   60.8529  H     
35   H        33.4630   52.0094   64.2665  H     
36   H        35.3154   53.5351   64.5098  H     
37   H        37.2615   53.3188   63.1008  H     
38   H        34.4692   49.9664   60.0832  H     
39   H        35.3747   48.7986   61.0712  H     
40   H        36.2132   49.8913   59.9746  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   11 1
     8    7   10 1
     9    7   11 1
    10    8    9 1
    11    8   11 1
    12    8   12 2
    13    9   10 1
    14   10   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   17   23 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26    1   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   15   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2066
  Crash		| -1.9973
  Polar		| 0.0391
  FragIndex	| 1
  FragRMSD	| 1.346