@<TRIPOS>MOLECULE
BindingDB_17993
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.5429   25.2562   73.4471  C     
2    C        78.6490   24.2386   71.3206  C     
3    C        79.8519   23.5576   71.6667  C     
4    C        80.3591   23.7696   72.9819  C     
5    N        79.6856   24.6172   73.8066  N     
6    N        78.0441   25.0809   72.1938  N     
7    N        77.9289   26.1026   74.2810  N     
8    N        78.0705   24.1588   70.0930  N     
9    C        81.6477   23.2467   73.4941  C     
10   C        81.8773   21.7628   73.1345  C     
11   C        80.6385   22.9334   70.6612  C     
12   C        81.7882   23.6173   70.2010  C     
13   C        80.3225   21.6636   70.1323  C     
14   C        81.1167   21.1263   69.0975  C     
15   C        82.6387   23.0704   69.2054  C     
16   C        82.2462   21.8307   68.6327  C     
17   O        82.9143   21.3684   67.5124  O     
18   N        83.7772   23.7223   68.7033  N     
19   C        84.4283   24.7849   69.4691  C     
20   C        84.7226   24.4606   70.9586  C     
21   C        85.6286   27.7002   72.6435  C     
22   C        84.1992   23.3876   67.4625  C     
23   O        85.1566   23.9478   66.9482  O     
24   C        83.4443   22.4029   66.6337  C     
25   C        84.3791   21.7264   65.6529  C     
26   C        86.4119   20.8883   63.8253  C     
27   C        85.1439   21.2604   63.3440  C     
28   C        84.1412   21.6707   64.2479  C     
29   C        85.6402   21.2616   66.1104  C     
30   C        86.6393   20.8521   65.2131  C     
31   C        82.2400   23.1535   65.9638  C     
32   C        85.8141   26.3814   72.0685  C     
33   N        84.7501   25.6813   71.7158  N     
34   O        86.9488   25.9622   71.9008  O     
35   Cl       87.6805   20.5430   62.7457  Cl    
36   H        77.1214   26.5648   73.9984  H     
37   H        78.2753   26.2444   75.1795  H     
38   H        77.2468   24.6657   69.9119  H     
39   H        78.4306   23.5608   69.4077  H     
40   H        82.4696   23.8495   73.1152  H     
41   H        81.6720   23.3354   74.5778  H     
42   H        81.0504   21.1471   73.5028  H     
43   H        82.8081   21.4046   73.5901  H     
44   H        81.9707   21.6345   72.0656  H     
45   H        81.9942   24.5238   70.6137  H     
46   H        79.5388   21.1283   70.4916  H     
47   H        80.8647   20.2224   68.6893  H     
48   H        85.3928   25.0779   69.0489  H     
49   H        83.8072   25.6778   69.3902  H     
50   H        83.9476   23.8353   71.3894  H     
51   H        85.6548   23.8969   71.0395  H     
52   H        85.1313   28.3474   71.9203  H     
53   H        86.5801   28.1574   72.9186  H     
54   H        85.0086   27.6400   73.5344  H     
55   H        84.9630   21.2711   62.3404  H     
56   H        83.2605   21.9701   63.8436  H     
57   H        85.8660   21.2883   67.1061  H     
58   H        87.5500   20.5643   65.5728  H     
59   H        81.6474   22.4556   65.3715  H     
60   H        82.5792   23.9621   65.3220  H     
61   H        81.5682   23.5926   66.6992  H     
62   H        83.8870   26.0681   71.9335  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   18 1
    19   16   17 1
    20   17   24 1
    21   18   19 1
    22   18   22 1
    23   19   20 1
    24   20   33 1
    25   21   32 1
    26   22   23 2
    27   22   24 1
    28   24   25 1
    29   24   31 1
    30   25   28 1
    31   25   29 2
    32   26   27 1
    33   26   30 2
    34   26   35 1
    35   27   28 2
    36   29   30 1
    37   32   33 am
    38   32   34 2
    39    7   36 1
    40    7   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44    9   41 1
    45   10   42 1
    46   10   43 1
    47   10   44 1
    48   12   45 1
    49   13   46 1
    50   14   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   21   54 1
    58   27   55 1
    59   28   56 1
    60   29   57 1
    61   30   58 1
    62   31   59 1
    63   31   60 1
    64   31   61 1
    65   33   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0399
  Crash		| -3.5471
  Polar		| 5.6920
  FragIndex	| 1
  FragRMSD	| 1.006