@<TRIPOS>MOLECULE
BindingDB_5538
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2841   45.5982   51.3374  C     
2    C         7.9876   43.8233   49.8848  C     
3    N         9.2895   44.2152   50.0036  N     
4    N         7.0183   44.5175   50.5482  N     
5    C         8.6297   45.9772   51.4774  C     
6    C         9.6122   45.2657   50.7910  C     
7    C        10.5448   46.8324   51.9666  C     
8    N         9.2257   46.9406   52.2034  N     
9    N        10.7882   45.8257   51.1073  N     
10   O         6.3268   46.3055   52.0196  O     
11   N         7.7097   42.7696   49.0803  N     
12   C         4.9987   46.4274   51.4652  C     
13   C         4.0158   45.2724   51.8484  C     
14   C         2.1587   46.0933   54.1083  C     
15   C         3.6423   45.7298   54.3730  C     
16   C         4.1807   44.7409   53.3062  C     
17   C         2.5249   45.6658   51.5957  C     
18   C         1.9369   46.6246   52.6687  C     
19   C         6.4947   42.1943   48.8386  C     
20   C         4.2812   41.3940   49.5247  C     
21   C         3.9918   41.0236   48.1953  C     
22   C         4.9642   41.1982   47.1885  C     
23   C         6.2176   41.7581   47.5247  C     
24   C         5.5191   41.9821   49.8447  C     
25   C         4.8177   42.1600   44.6445  C     
26   S         4.6704   40.6163   45.5733  S     
27   H        11.2632   47.4200   52.3878  H     
28   H        11.6673   45.5492   50.7902  H     
29   H         8.4485   42.4470   48.5404  H     
30   H         4.6099   47.3654   51.8533  H     
31   H         5.0327   46.5345   50.3742  H     
32   H         4.2439   44.4363   51.1804  H     
33   H         1.5365   45.2059   54.2640  H     
34   H         1.8402   46.8522   54.8258  H     
35   H         4.2490   46.6390   54.3718  H     
36   H         3.7307   45.2749   55.3642  H     
37   H         3.6308   43.7982   53.4030  H     
38   H         5.2319   44.5182   53.5115  H     
39   H         2.4226   46.1311   50.6100  H     
40   H         1.9177   44.7545   51.5815  H     
41   H         0.8638   46.7422   52.4938  H     
42   H         2.3913   47.6138   52.5749  H     
43   H         3.5976   41.2215   50.2658  H     
44   H         3.0784   40.6082   47.9811  H     
45   H         6.9333   41.8646   46.8015  H     
46   H         5.7146   42.2313   50.8165  H     
47   H         3.9875   42.8196   44.9010  H     
48   H         4.7705   41.9273   43.5765  H     
49   H         5.7655   42.6538   44.8536  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   22   23 2
    28   22   26 1
    29   25   26 1
    30    7   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   14   34 1
    38   15   35 1
    39   15   36 1
    40   16   37 1
    41   16   38 1
    42   17   39 1
    43   17   40 1
    44   18   41 1
    45   18   42 1
    46   20   43 1
    47   21   44 1
    48   23   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   25   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8471
  Crash		| -0.7316
  Polar		| 2.8910
  FragIndex	| 1
  FragRMSD	| 0.558