@<TRIPOS>MOLECULE
BindingDB_6624
 56 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2988    8.7332   23.9677  C     
2    C         8.6673    8.5813   24.1026  C     
3    C         9.1929    8.7523   22.8334  C     
4    N         8.1517    8.9574   22.0135  N     
5    N         7.0347    8.9519   22.6780  N     
6    N         6.4621    8.7176   25.0329  N     
7    C         5.1286    8.7322   25.0205  C     
8    O         4.5328    8.6005   23.9690  O     
9    N         4.3395    8.8156   26.0734  N     
10   C         4.4746    9.1531   27.3878  C     
11   C         4.3623    9.7441   30.2057  C     
12   C         3.3955    8.9261   29.6084  C     
13   C         3.4431    8.6409   28.2271  C     
14   C         5.3900   10.2582   29.3951  C     
15   C         5.4575    9.9751   28.0208  C     
16   C         6.4311   11.0753   29.7352  C     
17   C         6.6694   10.6293   27.5033  C     
18   C         7.4014   12.9594   27.1282  C     
19   C         8.0323   12.3761   28.4045  C     
20   C         6.5576   11.8199   26.5085  C     
21   N         7.1677   11.2812   28.6540  N     
22   O         6.5956   11.6037   30.8201  O     
23   C        10.6257    8.7945   22.4780  C     
24   N        11.4456    7.7521   23.1401  N     
25   C        11.3327    6.3220   22.7343  C     
26   C        10.1582    4.6603   21.3250  C     
27   C         9.9318    5.8774   22.2519  C     
28   C        12.3046    5.7864   21.6469  C     
29   C        11.6800    4.4422   21.2189  C     
30   H         9.1861    8.4089   24.9640  H     
31   H         8.2384    9.1079   21.0584  H     
32   H         6.9089    8.6292   25.8631  H     
33   H         3.4163    8.6327   25.8341  H     
34   H         4.3232    9.9580   31.2011  H     
35   H         2.6502    8.5168   30.1875  H     
36   H         2.7140    8.0253   27.8465  H     
37   H         7.3583    9.8273   27.2051  H     
38   H         6.7535   13.7931   27.3962  H     
39   H         8.1706   13.3136   26.4354  H     
40   H         9.0411   12.0065   28.2080  H     
41   H         8.0676   13.1101   29.2192  H     
42   H         6.9548   11.5623   25.5240  H     
43   H         5.5088   12.1379   26.3859  H     
44   H        10.7368    8.7216   21.3865  H     
45   H        11.0403    9.7635   22.7688  H     
46   H        12.4234    8.0200   22.9731  H     
47   H        11.2937    7.8146   24.1581  H     
48   H        11.5446    5.7624   23.6480  H     
49   H         9.6812    3.7612   21.7347  H     
50   H         9.7267    4.8601   20.3426  H     
51   H         9.2987    5.6067   23.1094  H     
52   H         9.4214    6.6677   21.7025  H     
53   H        12.3318    6.4474   20.7730  H     
54   H        13.3158    5.6598   22.0340  H     
55   H        12.0048    3.6567   21.9096  H     
56   H        11.9868    4.1801   20.2049  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   25   27 1
    30   25   28 1
    31   26   27 1
    32   26   29 1
    33   28   29 1
    34    2   30 1
    35    4   31 1
    36    6   32 1
    37    9   33 1
    38   11   34 1
    39   12   35 1
    40   13   36 1
    41   17   37 1
    42   18   38 1
    43   18   39 1
    44   19   40 1
    45   19   41 1
    46   20   42 1
    47   20   43 1
    48   23   44 1
    49   23   45 1
    50   24   46 1
    51   24   47 1
    52   25   48 1
    53   26   49 1
    54   26   50 1
    55   27   51 1
    56   27   52 1
    57   28   53 1
    58   28   54 1
    59   29   55 1
    60   29   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5710
  Crash		| -2.5194
  Polar		| 2.8124
  FragIndex	| 1
  FragRMSD	| 1.123