@<TRIPOS>MOLECULE
BindingDB_31904
 65 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        41.6078   23.4609    2.7770  N     
2    N        39.9187   26.0282    6.6367  N     
3    N        43.9108   27.4632    8.8119  N     
4    N        35.1745   23.5700    9.4236  N     
5    C        40.9273   24.0087    4.0405  C     
6    C        41.4063   21.9468    2.7149  C     
7    C        41.0428   24.1729    1.5485  C     
8    C        41.5008   25.3016    4.7366  C     
9    C        43.1154   23.6748    2.8531  C     
10   C        40.4898   26.3494    5.3137  C     
11   C        39.9652   21.3797    2.6098  C     
12   C        41.6070   23.8215    0.1489  C     
13   C        38.6118   25.5691    6.7435  C     
14   C        40.6755   26.2481    7.7858  C     
15   C        38.0679   25.1755    8.0026  C     
16   C        40.1264   25.9664    9.0827  C     
17   C        38.8250   25.3972    9.1894  C     
18   C        37.7318   25.5610    5.6164  C     
19   C        41.9943   26.7791    7.7683  C     
20   C        40.9153   26.2689   10.2211  C     
21   C        36.7916   24.5633    8.1376  C     
22   C        38.2173   25.0397   10.4173  C     
23   C        42.7072   27.0031    8.8903  C     
24   C        42.1580   26.7669   10.1111  C     
25   C        36.3029   24.1945    9.3401  C     
26   C        36.9955   24.4731   10.4746  C     
27   C        37.1577   26.7725    5.1567  C     
28   C        37.4147   24.3636    4.9417  C     
29   C        36.2972   26.7841    4.0395  C     
30   C        36.5660   24.3761    3.8186  C     
31   C        36.0157   25.5880    3.3613  C     
32   H        44.3811   27.6719    9.5995  H     
33   H        44.3766   27.4176    8.0002  H     
34   H        34.8619   23.2532   10.2545  H     
35   H        34.6805   23.3778    8.6535  H     
36   H        39.8730   24.1891    3.8173  H     
37   H        40.8991   23.2289    4.8198  H     
38   H        41.9659   21.5293    1.8784  H     
39   H        41.8375   21.4831    3.6153  H     
40   H        39.9614   24.0321    1.4968  H     
41   H        41.1888   25.2512    1.6703  H     
42   H        42.1809   24.9658    5.5246  H     
43   H        42.1250   25.8530    4.0383  H     
44   H        43.3937   24.7215    2.6868  H     
45   H        43.6563   23.0860    2.1012  H     
46   H        43.5108   23.3938    3.8380  H     
47   H        39.7720   26.5293    4.5135  H     
48   H        40.9872   27.3248    5.4069  H     
49   H        39.3817   21.6305    3.4965  H     
50   H        40.0166   20.2869    2.5328  H     
51   H        39.4492   21.7685    1.7318  H     
52   H        42.6726   24.0426    0.0987  H     
53   H        41.0928   24.4140   -0.6074  H     
54   H        41.4536   22.7706   -0.0902  H     
55   H        42.4339   27.0116    6.9194  H     
56   H        40.5947   26.1144   11.1409  H     
57   H        36.2360   24.3769    7.3433  H     
58   H        38.6584   25.2075   11.2850  H     
59   H        42.6847   26.9642   10.9386  H     
60   H        36.6021   24.2666   11.3674  H     
61   H        37.3697   27.6613    5.6283  H     
62   H        37.8011   23.4711    5.2612  H     
63   H        35.8887   27.6690    3.7101  H     
64   H        36.3604   23.5075    3.3210  H     
65   H        35.3946   25.5978    2.5529  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    1    7 1
     4    1    9 1
     5    2   10 1
     6    2   13 1
     7    2   14 2
     8    3   23 1
     9    4   25 1
    10    5    8 1
    11    6   11 1
    12    7   12 1
    13    8   10 1
    14   13   15 2
    15   13   18 1
    16   14   16 1
    17   14   19 1
    18   15   17 1
    19   15   21 1
    20   16   17 2
    21   16   20 1
    22   17   22 1
    23   18   27 2
    24   18   28 1
    25   19   23 2
    26   20   24 2
    27   21   25 2
    28   22   26 2
    29   23   24 1
    30   25   26 1
    31   27   29 1
    32   28   30 2
    33   29   31 2
    34   30   31 1
    35    3   32 1
    36    3   33 1
    37    4   34 1
    38    4   35 1
    39    5   36 1
    40    5   37 1
    41    6   38 1
    42    6   39 1
    43    7   40 1
    44    7   41 1
    45    8   42 1
    46    8   43 1
    47    9   44 1
    48    9   45 1
    49    9   46 1
    50   10   47 1
    51   10   48 1
    52   11   49 1
    53   11   50 1
    54   11   51 1
    55   12   52 1
    56   12   53 1
    57   12   54 1
    58   19   55 1
    59   20   56 1
    60   21   57 1
    61   22   58 1
    62   24   59 1
    63   26   60 1
    64   27   61 1
    65   28   62 1
    66   29   63 1
    67   30   64 1
    68   31   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8676
  Crash		| -1.3916
  Polar		| 0.6625
  FragIndex	| 1
  FragRMSD	| 0.897