@<TRIPOS>MOLECULE
BindingDB_18017
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3194   95.9565  143.7542  C     
2    C         9.1641   94.5083  143.3448  C     
3    C         8.7341   94.3437  141.9963  C     
4    C         7.5519   95.0172  141.5927  C     
5    N         8.4321   95.3049  144.1652  N     
6    N         6.8933   95.7975  142.4806  N     
7    N         6.6668   96.7621  144.5966  N     
8    N         7.0387   94.9302  140.3528  N     
9    C        10.3676   93.8681  143.9531  C     
10   C        11.0089   94.7330  145.0703  C     
11   C         9.4755   93.5562  141.0840  C     
12   C         9.0656   92.2513  140.7608  C     
13   C         9.8705   91.4446  139.9435  C     
14   C        10.6801   94.0380  140.5580  C     
15   C        11.5724   93.2352  139.8044  C     
16   C        11.1255   91.9141  139.4880  C     
17   C        11.9491   91.0042  138.6524  C     
18   C        13.4461   91.3832  138.6534  C     
19   C        13.6135   92.9067  138.4771  C     
20   N        12.8327   93.6787  139.4299  N     
21   C        13.3986   94.9418  139.9136  C     
22   C        13.6360   94.9694  141.4616  C     
23   C        14.6167   95.9738  141.9058  C     
24   O        14.1725   97.2234  142.2039  O     
25   C        14.9352   98.3524  142.6188  C     
26   O        15.9217   95.6199  142.0381  O     
27   H         5.8899   97.2564  144.2917  H     
28   H         6.9953   96.8792  145.5031  H     
29   H         6.2208   95.4065  140.1345  H     
30   H         7.4873   94.3975  139.6710  H     
31   H        10.0582   92.9140  144.3860  H     
32   H        11.1377   93.6514  143.2092  H     
33   H        11.2369   95.7364  144.7013  H     
34   H        11.9358   94.2666  145.4101  H     
35   H        10.3273   94.8115  145.9216  H     
36   H         8.1877   91.8747  141.1253  H     
37   H         9.5473   90.5088  139.6945  H     
38   H        10.8867   95.0126  140.7312  H     
39   H        11.8667   89.9760  139.0118  H     
40   H        11.5686   91.0414  137.6338  H     
41   H        13.9007   91.0703  139.5933  H     
42   H        13.9607   90.8632  137.8421  H     
43   H        14.6828   93.1165  138.5456  H     
44   H        13.2926   93.1836  137.4721  H     
45   H        14.3449   95.1800  139.4191  H     
46   H        12.7276   95.7601  139.6426  H     
47   H        12.7044   95.2566  141.9685  H     
48   H        13.8981   93.9521  141.8325  H     
49   H        15.4821   98.1215  143.5293  H     
50   H        14.2600   99.1786  142.8168  H     
51   H        15.6311   98.6490  141.8336  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 2
     5    2    5 1
     6    2    9 1
     7    3    4 1
     8    3   11 1
     9    4    6 2
    10    4    8 1
    11    9   10 1
    12   11   12 2
    13   11   14 1
    14   12   13 1
    15   13   16 2
    16   14   15 2
    17   15   16 1
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25   22   23 1
    26   23   24 1
    27   23   26 2
    28   24   25 1
    29    7   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   10   34 1
    37   10   35 1
    38   12   36 1
    39   13   37 1
    40   14   38 1
    41   17   39 1
    42   17   40 1
    43   18   41 1
    44   18   42 1
    45   19   43 1
    46   19   44 1
    47   21   45 1
    48   21   46 1
    49   22   47 1
    50   22   48 1
    51   25   49 1
    52   25   50 1
    53   25   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9628
  Crash		| -1.0089
  Polar		| 4.4264
  FragIndex	| 1
  FragRMSD	| 0.545