@<TRIPOS>MOLECULE
BindingDB_6620
 46 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2660    8.6283   24.0882  C     
2    C         8.6438    8.5685   24.2354  C     
3    C         9.1771    8.6741   22.9589  C     
4    N         8.1351    8.7976   22.1232  N     
5    N         7.0121    8.7732   22.7734  N     
6    N         6.3963    8.6001   25.1240  N     
7    C         5.0803    8.6910   25.0490  C     
8    O         4.5058    8.5695   23.9765  O     
9    N         4.2743    8.8571   26.0813  N     
10   C         4.4686    9.1616   27.4032  C     
11   C         4.3717    9.8204   30.1926  C     
12   C         3.3587    9.0490   29.6055  C     
13   C         3.4030    8.7328   28.2355  C     
14   C         5.4316   10.2517   29.3780  C     
15   C         5.4959    9.9425   28.0103  C     
16   C         6.4833   11.0405   29.7184  C     
17   C         6.7338   10.5659   27.4991  C     
18   C         7.9048   12.5665   26.8542  C     
19   C         8.0739   12.3530   28.3760  C     
20   C         6.6802   11.7077   26.4667  C     
21   N         7.2273   11.2400   28.6470  N     
22   O         6.6261   11.5865   30.8036  O     
23   C        10.6083    8.6410   22.5934  C     
24   N        11.3672    7.5252   23.2047  N     
25   C        10.9585    6.1561   22.8205  C     
26   H         9.1661    8.4685   25.1117  H     
27   H         8.2111    8.8986   21.1608  H     
28   H         6.7814    8.5261   26.0066  H     
29   H         3.3382    8.7286   25.8557  H     
30   H         4.3367   10.0647   31.1854  H     
31   H         2.5729    8.7244   30.1680  H     
32   H         2.6295    8.1829   27.8485  H     
33   H         7.4646    9.8052   27.2175  H     
34   H         7.7495   13.6212   26.6130  H     
35   H         8.7923   12.2125   26.3164  H     
36   H         9.1097   12.1192   28.6340  H     
37   H         7.7489   13.2438   28.9228  H     
38   H         6.7699   11.3419   25.4441  H     
39   H         5.7530   12.2787   26.5737  H     
40   H        10.7112    8.5937   21.5102  H     
41   H        11.0635    9.5737   22.9338  H     
42   H        12.3471    7.6404   22.9339  H     
43   H        11.3082    7.6054   24.2202  H     
44   H         9.9657    5.9333   23.2183  H     
45   H        11.6717    5.4416   23.2359  H     
46   H        10.9543    6.0458   21.7321  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    4 1
     6    3   23 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 am
    11    9   10 1
    12   10   13 2
    13   10   15 1
    14   11   12 2
    15   11   14 1
    16   12   13 1
    17   14   15 2
    18   14   16 1
    19   15   17 1
    20   16   21 1
    21   16   22 2
    22   17   20 1
    23   17   21 1
    24   18   19 1
    25   18   20 1
    26   19   21 1
    27   23   24 1
    28   24   25 1
    29    2   26 1
    30    4   27 1
    31    6   28 1
    32    9   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   17   33 1
    37   18   34 1
    38   18   35 1
    39   19   36 1
    40   19   37 1
    41   20   38 1
    42   20   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   25   45 1
    49   25   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0054
  Crash		| -2.3557
  Polar		| 2.8263
  FragIndex	| 1
  FragRMSD	| 1.113