@<TRIPOS>MOLECULE
BindingDB_5554
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9344   45.0455   51.0244  C     
2    C         7.4102   43.4984   49.2522  C     
3    N         8.7149   43.9093   49.2382  N     
4    N         6.5514   44.0800   50.1409  N     
5    C         8.2772   45.4470   51.0142  C     
6    C         9.1466   44.8664   50.0994  C     
7    C        10.2269   46.3246   51.2872  C     
8    N         8.9588   46.3491   51.7461  N     
9    N        10.3441   45.4291   50.2908  N     
10   O         6.0865   45.6065   51.9400  O     
11   N         7.0840   42.5147   48.3754  N     
12   C         4.8035   46.0825   51.5067  C     
13   C         3.6630   45.0576   51.7931  C     
14   C         1.8433   46.0107   54.0487  C     
15   C         3.2466   45.4161   54.3389  C     
16   C         3.6999   44.4314   53.2276  C     
17   C         2.2462   45.6600   51.5268  C     
18   C         1.7590   46.6411   52.6350  C     
19   C         5.9225   41.8304   48.1412  C     
20   C         3.6110   41.1457   48.6112  C     
21   C         3.5610   40.3139   47.4563  C     
22   C         4.7380   40.2634   46.6638  C     
23   C         5.8837   41.0111   46.9872  C     
24   C         4.7630   41.8607   48.9592  C     
25   C         2.4103   39.5915   47.1065  C     
26   O         2.4905   38.6484   46.3250  O     
27   C         1.0702   39.9320   47.5664  C     
28   H        10.9871   46.9098   51.6345  H     
29   H        11.1605   45.2367   49.8024  H     
30   H         7.8294   42.2411   47.8205  H     
31   H         4.6262   46.9972   52.0760  H     
32   H         4.8198   46.3415   50.4427  H     
33   H         3.7869   44.2271   51.0876  H     
34   H         1.0937   45.2217   54.1314  H     
35   H         1.6126   46.7726   54.7971  H     
36   H         3.9722   46.2271   54.4356  H     
37   H         3.2180   44.8831   55.2945  H     
38   H         3.0301   43.5618   53.2554  H     
39   H         4.7105   44.0779   53.4522  H     
40   H         2.2409   46.1703   50.5619  H     
41   H         1.5238   44.8426   51.4564  H     
42   H         0.7220   46.9150   52.4282  H     
43   H         2.3567   47.5542   52.6086  H     
44   H         2.8048   41.2096   49.2344  H     
45   H         4.7675   39.6888   45.8137  H     
46   H         6.7046   40.9543   46.3744  H     
47   H         4.7511   42.4075   49.8197  H     
48   H         0.9949   39.7949   48.6478  H     
49   H         0.3085   39.3010   47.0953  H     
50   H         0.8512   40.9760   47.3202  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   21   25 1
    28   22   23 2
    29   25   26 2
    30   25   27 1
    31    7   28 1
    32    9   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   14   35 1
    39   15   36 1
    40   15   37 1
    41   16   38 1
    42   16   39 1
    43   17   40 1
    44   17   41 1
    45   18   42 1
    46   18   43 1
    47   20   44 1
    48   22   45 1
    49   23   46 1
    50   24   47 1
    51   27   48 1
    52   27   49 1
    53   27   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.6589
  Crash		| -0.6841
  Polar		| 3.8863
  FragIndex	| 1
  FragRMSD	| 0.501