@<TRIPOS>MOLECULE
BindingDB_15647
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0971   52.3500  -81.5745  C     
2    C        41.8802   51.2901  -80.6887  C     
3    C        40.8326   50.3669  -80.3869  C     
4    N        41.5016   52.3972  -81.3046  N     
5    C        42.4435   53.3980  -81.8172  C     
6    C        42.4268   55.2143  -79.9701  C     
7    C        42.0360   56.3148  -80.9871  C     
8    C        41.2253   55.7291  -82.1648  C     
9    C        41.9401   54.5051  -82.8139  C     
10   C        43.2486   54.0950  -80.6624  C     
11   O        43.0375   50.9610  -80.4593  O     
12   C        39.5520   51.1325  -80.7748  C     
13   C        38.7329   51.4900  -79.6178  C     
14   O        39.1653   52.3192  -78.8208  O     
15   N        37.5272   50.9493  -79.4836  N     
16   C        36.5210   51.1496  -78.5774  C     
17   C        34.3845   50.2583  -77.7190  C     
18   C        35.5153   50.1472  -78.5428  C     
19   C        36.3666   52.2729  -77.7051  C     
20   C        35.2179   52.4016  -76.9076  C     
21   C        34.2305   51.3949  -76.8923  C     
22   H        39.5869   53.2745  -81.2832  H     
23   H        39.9585   52.1825  -82.6515  H     
24   H        40.9350   49.4605  -81.0002  H     
25   H        40.8594   50.0890  -79.3232  H     
26   H        43.1758   52.8264  -82.3967  H     
27   H        43.0151   55.6631  -79.1599  H     
28   H        41.5256   54.7746  -79.5411  H     
29   H        41.4376   57.0769  -80.4777  H     
30   H        42.9497   56.7904  -81.3676  H     
31   H        40.2272   55.4557  -81.7978  H     
32   H        41.1008   56.5099  -82.9204  H     
33   H        42.8134   54.8811  -83.3609  H     
34   H        41.2735   54.0595  -83.5620  H     
35   H        43.5667   53.3747  -79.9020  H     
36   H        44.1705   54.5304  -81.0838  H     
37   H        38.9522   50.5192  -81.4599  H     
38   H        37.2906   50.3228  -80.1832  H     
39   H        33.6780   49.5170  -77.7103  H     
40   H        35.5971   49.3254  -79.1461  H     
41   H        37.0589   53.0238  -77.6505  H     
42   H        35.0956   53.2310  -76.3252  H     
43   H        33.4096   51.4739  -76.2943  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24    1   22 1
    25    1   23 1
    26    3   24 1
    27    3   25 1
    28    5   26 1
    29    6   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    8   31 1
    34    8   32 1
    35    9   33 1
    36    9   34 1
    37   10   35 1
    38   10   36 1
    39   12   37 1
    40   15   38 1
    41   17   39 1
    42   18   40 1
    43   19   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2090
  Crash		| -1.1982
  Polar		| 0.0003
  FragIndex	| 1
  FragRMSD	| 1.442