@<TRIPOS>MOLECULE
BindingDB_17979
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.4749   25.7077   73.6679  C     
2    C        78.4988   24.5126   71.6265  C     
3    C        79.6080   23.7437   72.0703  C     
4    C        80.1201   24.0103   73.3702  C     
5    N        79.5338   24.9871   74.1072  N     
6    N        77.9645   25.4587   72.4390  N     
7    N        77.9820   26.6829   74.4433  N     
8    N        77.9622   24.3853   70.3948  N     
9    C        81.3046   23.3558   73.9897  C     
10   C        82.4188   24.3681   74.3421  C     
11   C        80.3562   22.9943   71.1354  C     
12   C        81.4924   23.6171   70.5869  C     
13   C        80.0258   21.6811   70.7445  C     
14   C        80.8288   21.0084   69.8036  C     
15   C        82.3353   22.9569   69.6670  C     
16   C        81.9638   21.6428   69.2595  C     
17   C        83.1371   21.9629   67.2537  C     
18   C        83.9073   23.0345   67.9114  C     
19   O        82.6886   21.0188   68.2598  O     
20   N        83.4532   23.5563   69.0699  N     
21   C        84.0580   24.7659   69.6323  C     
22   C        84.5664   24.6769   71.0989  C     
23   C        85.9516   25.3192   71.3486  C     
24   O        86.0629   25.9738   72.6308  O     
25   C        85.9573   27.4094   72.6481  C     
26   O        84.9104   23.4702   67.3537  O     
27   C        83.8632   21.3048   66.1271  C     
28   C        85.2734   21.1903   66.1609  C     
29   C        83.1848   20.9992   64.9214  C     
30   C        83.9027   20.6915   63.7529  C     
31   C        85.3082   20.6924   63.7750  C     
32   C        85.9914   20.9148   64.9845  C     
33   F        85.9811   20.5191   62.6719  F     
34   H        77.2392   27.2305   74.1440  H     
35   H        78.4282   26.8719   75.2819  H     
36   H        77.2196   24.9497   70.1247  H     
37   H        78.3183   23.7355   69.7640  H     
38   H        80.9830   22.8470   74.9021  H     
39   H        81.7310   22.5924   73.3373  H     
40   H        82.7889   24.8543   73.4391  H     
41   H        83.2497   23.8498   74.8235  H     
42   H        82.0462   25.1341   75.0241  H     
43   H        81.6891   24.5823   70.8566  H     
44   H        79.1977   21.2188   71.1294  H     
45   H        80.5732   20.0661   69.4982  H     
46   H        82.2383   22.4451   66.8460  H     
47   H        84.8993   25.1264   69.0422  H     
48   H        83.3218   25.5714   69.5706  H     
49   H        83.8284   25.1843   71.7257  H     
50   H        84.6153   23.6418   71.4283  H     
51   H        86.7070   24.5314   71.3317  H     
52   H        86.1891   26.0197   70.5461  H     
53   H        86.6400   27.8697   71.9304  H     
54   H        86.2164   27.7606   73.6469  H     
55   H        84.9354   27.7285   72.4382  H     
56   H        85.7904   21.4104   67.0165  H     
57   H        82.1658   21.0674   64.8632  H     
58   H        83.4021   20.5201   62.8774  H     
59   H        87.0135   20.9210   65.0037  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   20 1
    19   16   19 1
    20   17   18 1
    21   17   19 1
    22   17   27 1
    23   18   20 1
    24   18   26 2
    25   20   21 1
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   27   28 1
    31   27   29 2
    32   28   32 2
    33   29   30 1
    34   30   31 2
    35   31   32 1
    36   31   33 1
    37    7   34 1
    38    7   35 1
    39    8   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43   10   40 1
    44   10   41 1
    45   10   42 1
    46   12   43 1
    47   13   44 1
    48   14   45 1
    49   17   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   23   51 1
    55   23   52 1
    56   25   53 1
    57   25   54 1
    58   25   55 1
    59   28   56 1
    60   29   57 1
    61   30   58 1
    62   32   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9089
  Crash		| -2.6244
  Polar		| 3.5948
  FragIndex	| 1
  FragRMSD	| 1.107