@<TRIPOS>MOLECULE
BindingDB_6631
 50 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0631    8.7997   25.0898  C     
2    O         4.4539    8.6195   24.0449  O     
3    N         4.2701    9.0026   26.1269  N     
4    C         4.4940    9.2357   27.4513  C     
5    C         4.4445    9.6926   30.2769  C     
6    C         3.6159    8.7184   29.7029  C     
7    C         3.6215    8.5176   28.3096  C     
8    C         5.2632   10.4587   29.4268  C     
9    C         5.3244   10.2301   28.0423  C     
10   C         6.0903   11.4801   29.7541  C     
11   C         6.1877   11.2855   27.4680  C     
12   C         8.4696   12.0736   27.2282  C     
13   C         7.9000   12.5966   28.5591  C     
14   C         7.5269   10.9305   26.7987  C     
15   N         6.6301   11.9578   28.6442  N     
16   O         6.4177   11.7783   30.8966  O     
17   N         6.3824    8.7133   25.1315  N     
18   C         7.2143    8.5827   24.0735  C     
19   C         8.5916    8.4495   24.1711  C     
20   C         9.0805    8.4275   22.8677  C     
21   N         6.9169    8.6149   22.7553  N     
22   N         8.0087    8.5167   22.0617  N     
23   C        10.4864    8.3444   22.4196  C     
24   C        12.7480    8.8393   22.9103  C     
25   C        11.1656    6.9849   22.6514  C     
26   C        12.6724    7.3186   22.6501  C     
27   N        11.3635    9.2731   23.1510  N     
28   H         3.3349    8.8468   25.9244  H     
29   H         4.4276    9.8553   31.2866  H     
30   H         3.0114    8.1474   30.2974  H     
31   H         2.9687    7.8248   27.9246  H     
32   H         5.5932   11.9642   26.8425  H     
33   H         8.4471   12.8747   26.4784  H     
34   H         9.5005   11.7095   27.3356  H     
35   H         8.5600   12.3047   29.3850  H     
36   H         7.7779   13.6789   28.5506  H     
37   H         7.8644    9.9338   27.1330  H     
38   H         7.4387   10.9530   25.7124  H     
39   H         6.7970    8.7578   25.9988  H     
40   H         9.1397    8.4118   25.0320  H     
41   H         8.0426    8.5074   21.0887  H     
42   H        10.5293    8.5889   21.3523  H     
43   H        13.3580    9.0603   23.7869  H     
44   H        13.1567    9.3711   22.0437  H     
45   H        10.8954    6.5640   23.6252  H     
46   H        10.9129    6.2651   21.8663  H     
47   H        13.1209    7.0798   21.6810  H     
48   H        13.1933    6.7601   23.4313  H     
49   H        11.2143   10.2355   22.8344  H     
50   H        11.1836    9.1943   24.1602  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 am
     3    1   17 am
     4    3    4 1
     5    4    7 2
     6    4    9 1
     7    5    6 2
     8    5    8 1
     9    6    7 1
    10    8    9 2
    11    8   10 1
    12    9   11 1
    13   10   15 1
    14   10   16 2
    15   11   14 1
    16   11   15 1
    17   12   13 1
    18   12   14 1
    19   13   15 1
    20   17   18 1
    21   18   19 1
    22   18   21 2
    23   19   20 2
    24   20   22 1
    25   23   20 1
    26   21   22 1
    27   23   25 1
    28   23   27 1
    29   24   26 1
    30   24   27 1
    31   25   26 1
    32    3   28 1
    33    5   29 1
    34    6   30 1
    35    7   31 1
    36   11   32 1
    37   12   33 1
    38   12   34 1
    39   13   35 1
    40   13   36 1
    41   14   37 1
    42   14   38 1
    43   17   39 1
    44   19   40 1
    45   22   41 1
    46   23   42 1
    47   24   43 1
    48   24   44 1
    49   25   45 1
    50   25   46 1
    51   26   47 1
    52   26   48 1
    53   27   49 1
    54   27   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5484
  Crash		| -2.1361
  Polar		| 3.5531
  FragIndex	| 1
  FragRMSD	| 1.161