@<TRIPOS>MOLECULE
BindingDB_15653
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.3077   50.6642   60.0857  C     
2    C        40.2705   50.9084   58.0927  C     
3    C        39.4026   50.0117   58.8034  C     
4    N        41.3741   51.2381   58.7647  N     
5    C        42.6453   51.7199   58.1873  C     
6    C        42.6946   54.0625   59.2543  C     
7    C        42.5638   54.7464   57.8687  C     
8    C        41.9047   53.8015   56.8247  C     
9    C        42.6009   52.4092   56.7742  C     
10   C        43.4366   52.7017   59.1180  C     
11   O        40.0200   51.1735   56.9195  O     
12   C        39.8563   50.1437   60.2670  C     
13   C        38.9525   50.9896   61.0471  C     
14   O        39.1596   52.1954   61.0841  O     
15   N        37.7998   50.4660   61.4704  N     
16   C        36.7160   51.0926   62.0428  C     
17   C        34.2898   51.0518   62.4310  C     
18   C        35.4602   50.4505   61.9287  C     
19   C        36.7718   52.3275   62.7366  C     
20   C        35.6018   52.9358   63.2349  C     
21   C        34.3571   52.3026   63.0690  C     
22   Cl       35.7113   54.4395   64.0071  Cl    
23   H        42.0258   49.8311   60.1531  H     
24   H        41.5559   51.3952   60.8651  H     
25   H        38.3471   50.2469   58.6528  H     
26   H        39.5944   49.0022   58.4286  H     
27   H        43.2743   50.8321   58.0678  H     
28   H        43.2538   54.7159   59.9354  H     
29   H        41.6944   53.9026   59.6762  H     
30   H        41.9621   55.6502   57.9701  H     
31   H        43.5657   55.0312   57.5171  H     
32   H        40.8487   53.6609   57.0765  H     
33   H        41.9619   54.2669   55.8334  H     
34   H        43.6331   52.5508   56.4046  H     
35   H        42.1044   51.7621   56.0386  H     
36   H        43.6007   52.2622   60.1083  H     
37   H        44.4396   52.8809   58.7017  H     
38   H        39.9013   49.1483   60.7341  H     
39   H        37.6603   49.5298   61.2591  H     
40   H        33.3843   50.5852   62.3139  H     
41   H        35.3845   49.5468   61.4514  H     
42   H        37.6715   52.7910   62.8898  H     
43   H        33.4936   52.7391   63.4029  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   20   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5215
  Crash		| -1.0178
  Polar		| 1.6324
  FragIndex	| 1
  FragRMSD	| 0.939