@<TRIPOS>MOLECULE
BindingDB_17987
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.8144  108.3636  131.0711  C     
2    C        27.4278  106.2268  130.1177  C     
3    C        26.2583  106.6987  129.4636  C     
4    C        25.9217  108.0729  129.6495  C     
5    N        26.7180  108.8392  130.4435  N     
6    N        28.1584  107.0663  130.8966  N     
7    N        28.5487  109.1877  131.8338  N     
8    N        27.8812  104.9643  130.0046  N     
9    C        24.7702  108.7757  129.0202  C     
10   C        23.5133  108.7503  129.9153  C     
11   C        25.4561  105.8303  128.6692  C     
12   C        24.2880  105.2455  129.2119  C     
13   C        25.7612  105.6189  127.3077  C     
14   C        24.8932  104.8598  126.5022  C     
15   C        23.3777  104.4847  128.4260  C     
16   C        23.7162  104.3107  127.0488  C     
17   O        22.8777  103.6653  126.1702  O     
18   N        22.1635  103.9483  128.9122  N     
19   C        21.6434  104.3234  130.2349  C     
20   C        20.9796  105.7359  130.2301  C     
21   C        20.9154  107.1781  133.7186  C     
22   C        21.4661  103.0952  128.1342  C     
23   O        20.3944  102.6081  128.4690  O     
24   C        21.9765  102.7428  126.8073  C     
25   C        21.2165  101.8036  125.8312  C     
26   C        22.4119  101.2695  126.6401  C     
27   N        20.7529  106.4452  131.4528  N     
28   C        21.2708  106.2608  132.6607  C     
29   O        22.0538  105.3407  132.8994  O     
30   H        29.3487  108.8686  132.2839  H     
31   H        28.2865  110.1170  131.9213  H     
32   H        28.7096  104.7084  130.4435  H     
33   H        27.4030  104.3093  129.4691  H     
34   H        25.0581  109.8156  128.8437  H     
35   H        24.5078  108.3472  128.0508  H     
36   H        23.2549  107.7265  130.1810  H     
37   H        22.6766  109.1939  129.3823  H     
38   H        23.6902  109.3116  130.8328  H     
39   H        24.0974  105.4058  130.1993  H     
40   H        26.6004  106.0381  126.8897  H     
41   H        25.1122  104.7368  125.5113  H     
42   H        20.8887  103.6338  130.6214  H     
43   H        22.4481  104.2312  130.9638  H     
44   H        21.5181  106.4147  129.5662  H     
45   H        19.9907  105.6029  129.7875  H     
46   H        21.2413  108.1910  133.4583  H     
47   H        21.3785  106.8930  134.6736  H     
48   H        19.8284  107.1830  133.8559  H     
49   H        20.2444  101.4077  126.1397  H     
50   H        21.4097  101.9447  124.7621  H     
51   H        23.3038  101.0789  126.0410  H     
52   H        22.1318  100.5635  127.4239  H     
53   H        20.2079  107.2482  131.3763  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   27 1
    25   21   28 1
    26   22   23 2
    27   22   24 1
    28   24   25 1
    29   24   26 1
    30   25   26 1
    31   27   28 am
    32   28   29 2
    33    7   30 1
    34    7   31 1
    35    8   32 1
    36    8   33 1
    37    9   34 1
    38    9   35 1
    39   10   36 1
    40   10   37 1
    41   10   38 1
    42   12   39 1
    43   13   40 1
    44   14   41 1
    45   19   42 1
    46   19   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   21   48 1
    52   25   49 1
    53   25   50 1
    54   26   51 1
    55   26   52 1
    56   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9841
  Crash		| -1.3711
  Polar		| 3.4975
  FragIndex	| 1
  FragRMSD	| 0.229