@<TRIPOS>MOLECULE
BindingDB_17347
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        84.6980   60.2989   15.3597  C     
2    C        85.4126   61.2950   16.3221  C     
3    C        83.9784   61.0169   14.3045  C     
4    O        84.6270   61.7509   13.5742  O     
5    N        82.6642   60.8649   14.1334  N     
6    C        80.7203   62.2221   13.5484  C     
7    C        81.8876   61.4658   13.0747  C     
8    C        81.4511   60.3617   12.0553  C     
9    C        81.1942   60.8901   10.6131  C     
10   C        80.0933   61.9735   10.4458  C     
11   O        80.4187   62.1295   14.7327  O     
12   N        85.6343   59.2480   14.8794  N     
13   C        86.0494   59.2019   13.4602  C     
14   N        79.9269   62.9382   12.7242  N     
15   S        79.3646   64.6656   10.7962  S     
16   C        78.6562   63.5037   13.1302  C     
17   C        77.6720   62.5632   13.6517  C     
18   O        77.8650   61.3470   13.5525  O     
19   C        75.5085   62.3391   14.6530  C     
20   C        73.6021   61.2319   14.4984  C     
21   C        74.7081   61.6378   13.7629  C     
22   N        76.6257   63.0320   14.3100  N     
23   C        72.4570   60.4573   13.9903  C     
24   N        73.7575   61.6744   15.7519  N     
25   N        74.8878   62.3305   15.8568  N     
26   C        75.3382   62.8610   17.0268  C     
27   C        74.9955   64.3588   18.9401  C     
28   C        76.2170   63.9446   19.4987  C     
29   C        76.9921   62.9660   18.8353  C     
30   C        76.5622   62.4502   17.6049  C     
31   C        74.5604   63.8346   17.7183  C     
32   C        78.0300   64.2108   11.8975  C     
33   C        80.2912   63.2230   11.3582  C     
34   H        83.9775   59.7552   15.9814  H     
35   H        86.2050   61.8461   15.8011  H     
36   H        85.8669   60.7495   17.1552  H     
37   H        84.6951   62.0102   16.7280  H     
38   H        82.1962   60.3016   14.7751  H     
39   H        82.5184   62.1760   12.5382  H     
40   H        82.2487   59.6161   11.9794  H     
41   H        80.5600   59.8384   12.4144  H     
42   H        82.1381   61.2936   10.2230  H     
43   H        80.9280   60.0334    9.9799  H     
44   H        80.0991   62.2892    9.3972  H     
45   H        79.1149   61.5187   10.6460  H     
46   H        86.4966   59.3601   15.4166  H     
47   H        85.2417   58.3341   15.1299  H     
48   H        85.1999   58.9477   12.8276  H     
49   H        86.8064   58.4290   13.3615  H     
50   H        86.4659   60.1627   13.1553  H     
51   H        78.8751   64.2577   13.8949  H     
52   H        74.8662   61.4970   12.7665  H     
53   H        76.6112   63.9834   14.5085  H     
54   H        71.9847   60.9990   13.1678  H     
55   H        71.7214   60.2954   14.7838  H     
56   H        72.8017   59.4870   13.6299  H     
57   H        74.4286   65.0564   19.4332  H     
58   H        76.5300   64.3129   20.3976  H     
59   H        77.8666   62.6469   19.2499  H     
60   H        77.1271   61.7286   17.1402  H     
61   H        73.6663   64.1417   17.3312  H     
62   H        77.4624   65.0981   12.1883  H     
63   H        77.3686   63.5492   11.3286  H     
64   H        81.3290   63.5601   11.2823  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   12 1
     4    3    4 2
     5    3    5 am
     6    7    5 1
     7    6    7 1
     8    6   11 2
     9    6   14 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   33 1
    14   12   13 1
    15   14   16 1
    16   14   33 1
    17   15   32 1
    18   15   33 1
    19   16   17 1
    20   16   32 1
    21   17   18 2
    22   17   22 am
    23   19   21 2
    24   19   22 1
    25   19   25 1
    26   20   21 1
    27   20   23 1
    28   20   24 2
    29   24   25 1
    30   25   26 1
    31   26   30 1
    32   26   31 2
    33   27   28 2
    34   27   31 1
    35   28   29 1
    36   29   30 2
    37    1   34 1
    38    2   35 1
    39    2   36 1
    40    2   37 1
    41    5   38 1
    42    7   39 1
    43    8   40 1
    44    8   41 1
    45    9   42 1
    46    9   43 1
    47   10   44 1
    48   10   45 1
    49   12   46 1
    50   12   47 1
    51   13   48 1
    52   13   49 1
    53   13   50 1
    54   16   51 1
    55   21   52 1
    56   22   53 1
    57   23   54 1
    58   23   55 1
    59   23   56 1
    60   27   57 1
    61   28   58 1
    62   29   59 1
    63   30   60 1
    64   31   61 1
    65   32   62 1
    66   32   63 1
    67   33   64 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2755
  Crash		| -0.9031
  Polar		| 6.9686
  FragIndex	| 1
  FragRMSD	| 0.806