@<TRIPOS>MOLECULE
BindingDB_5558
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3235   45.5689   51.4465  C     
2    C         7.9981   43.9248   49.8240  C     
3    N         9.2972   44.3276   49.9241  N     
4    N         7.0531   44.5515   50.5801  N     
5    C         8.6693   45.9619   51.5670  C     
6    C         9.6266   45.3208   50.7853  C     
7    C        10.6095   46.7769   52.0376  C     
8    N         9.2964   46.8628   52.3388  N     
9    N        10.8145   45.8499   51.0906  N     
10   O         6.3339   46.1443   52.2035  O     
11   N         7.6965   42.9192   48.9704  N     
12   C         5.0476   46.3254   51.5552  C     
13   C         3.9643   45.2403   51.8998  C     
14   C         2.0977   45.9434   54.1898  C     
15   C         3.5392   45.4481   54.4675  C     
16   C         4.1036   44.5821   53.3103  C     
17   C         2.4963   45.7310   51.6754  C     
18   C         2.0044   46.6560   52.8184  C     
19   C         6.4945   42.2899   48.8275  C     
20   C         4.8426   41.2532   47.3497  C     
21   C         4.0101   40.9406   48.4532  C     
22   C         4.4595   41.2955   49.7496  C     
23   C         5.6876   41.9438   49.9365  C     
24   C         6.0648   41.9175   47.5338  C     
25   C         2.6952   40.2709   48.2820  C     
26   C         2.5683   39.1885   49.1047  C     
27   N         2.4744   38.3079   49.8451  N     
28   H        11.3515   47.3252   52.4833  H     
29   H        11.6703   45.5882   50.7147  H     
30   H         8.4147   42.6019   48.4076  H     
31   H         4.6907   47.3100   51.8653  H     
32   H         5.1420   46.3924   50.4641  H     
33   H         4.1115   44.4270   51.1779  H     
34   H         1.4075   45.0938   54.2081  H     
35   H         1.7947   46.6395   54.9786  H     
36   H         4.1910   46.3087   54.6314  H     
37   H         3.5390   44.8605   55.3883  H     
38   H         3.5550   43.6354   53.3045  H     
39   H         5.1477   44.3494   53.5132  H     
40   H         2.4093   46.2520   50.7196  H     
41   H         1.8363   44.8589   51.6261  H     
42   H         0.9661   46.9380   52.6324  H     
43   H         2.6057   47.5689   52.8388  H     
44   H         4.5551   41.0112   46.3994  H     
45   H         3.8931   41.0594   50.5680  H     
46   H         5.9997   42.1344   50.8933  H     
47   H         6.6446   42.1515   46.7203  H     
48   H         1.9071   40.9829   48.5446  H     
49   H         2.5383   39.9470   47.2490  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 1
    30   26   27 3
    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   25   48 1
    52   25   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7726
  Crash		| -0.9434
  Polar		| 3.1187
  FragIndex	| 1
  FragRMSD	| 0.492