@<TRIPOS>MOLECULE
BindingDB_16505
 73 76 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.7512   18.8549   -8.0884  C     
2    C        10.2186   18.9372   -7.9811  C     
3    O        10.3692   19.5138   -9.0526  O     
4    C        11.3795   18.5647   -7.2131  C     
5    C        12.6326   17.9851   -7.8624  C     
6    C        13.8963   18.0465   -7.1485  C     
7    O        14.8966   18.3526   -7.7796  O     
8    N        13.9709   17.7245   -5.8600  N     
9    C        15.1648   17.6408   -5.0461  C     
10   C        15.1833   16.2926   -4.4563  C     
11   O        14.1776   15.9779   -3.8275  O     
12   C        15.2290   18.7711   -3.9502  C     
13   C        16.5352   18.6549   -3.1018  C     
14   O        11.6074   17.1516   -7.3148  O     
15   N         9.0297   18.6479   -7.4772  N     
16   C        15.0764   20.1959   -4.5781  C     
17   C        15.3637   21.3883   -3.6310  C     
18   C        18.3546   14.4562   -4.8958  C     
19   C        17.4496   15.6623   -5.1889  C     
20   C        16.1615   14.0944   -3.9295  C     
21   C        17.3456   13.3444   -4.5884  C     
22   N        16.2090   15.4172   -4.5078  N     
23   C        16.2216   14.1257   -2.4443  C     
24   O        17.3833   13.8898   -1.7864  O     
25   O        15.1063   14.4600   -1.7391  O     
26   C        14.9456   14.5221   -0.3140  C     
27   C        14.7333   15.9259    0.1155  C     
28   C        14.3787   18.6136    0.9536  C     
29   C        13.4050   17.6466    1.2544  C     
30   C        13.5797   16.3139    0.8357  C     
31   C        15.7121   16.9094   -0.1716  C     
32   C        15.5340   18.2450    0.2385  C     
33   C         7.5143   18.0004   -9.2817  C     
34   C         6.7878   18.4879  -10.3908  C     
35   C         6.5107   17.6505  -11.4923  C     
36   C         6.9686   16.3226  -11.5019  C     
37   C         7.6980   15.8267  -10.4071  C     
38   C         7.9531   16.6537   -9.3021  C     
39   H         6.9979   18.5840   -7.3429  H     
40   H         7.6322   19.9200   -8.3087  H     
41   H        11.4176   18.8557   -6.1621  H     
42   H        12.6405   18.0106   -8.9503  H     
43   H        13.1291   17.5103   -5.4166  H     
44   H        16.0402   17.7782   -5.6839  H     
45   H        14.3938   18.6265   -3.2689  H     
46   H        16.6487   17.6541   -2.6918  H     
47   H        16.5126   19.3401   -2.2547  H     
48   H        17.4098   18.8845   -3.7139  H     
49   H         9.0225   18.2345   -6.6002  H     
50   H        15.7262   20.2907   -5.4531  H     
51   H        14.0455   20.3229   -4.9221  H     
52   H        14.8247   21.2740   -2.6877  H     
53   H        15.0524   22.3229   -4.0987  H     
54   H        16.4338   21.4639   -3.4202  H     
55   H        18.9907   14.1995   -5.7469  H     
56   H        18.9833   14.6590   -4.0227  H     
57   H        17.9329   16.5777   -4.8364  H     
58   H        17.2751   15.7349   -6.2667  H     
59   H        15.2434   13.5753   -4.2252  H     
60   H        17.0196   12.8809   -5.5272  H     
61   H        17.7743   12.5671   -3.9501  H     
62   H        14.0894   13.8946   -0.0508  H     
63   H        15.8159   14.1159    0.2067  H     
64   H        14.2470   19.5818    1.2516  H     
65   H        12.5601   17.9174    1.7663  H     
66   H        12.8598   15.6183    1.0670  H     
67   H        16.5610   16.6563   -0.6809  H     
68   H        16.2376   18.9470    0.0028  H     
69   H         6.4394   19.4476  -10.4034  H     
70   H         5.9682   18.0097  -12.2791  H     
71   H         6.7657   15.7180  -12.3018  H     
72   H         8.0293   14.8605  -10.4137  H     
73   H         8.4694   16.2715   -8.5036  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   33 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   26   27 1
    30   27   30 2
    31   27   31 1
    32   28   29 2
    33   28   32 1
    34   29   30 1
    35   31   32 2
    36   33   34 2
    37   33   38 1
    38   34   35 1
    39   35   36 2
    40   36   37 1
    41   37   38 2
    42    1   39 1
    43    1   40 1
    44    4   41 1
    45    5   42 1
    46    8   43 1
    47    9   44 1
    48   12   45 1
    49   13   46 1
    50   13   47 1
    51   13   48 1
    52   15   49 1
    53   16   50 1
    54   16   51 1
    55   17   52 1
    56   17   53 1
    57   17   54 1
    58   18   55 1
    59   18   56 1
    60   19   57 1
    61   19   58 1
    62   20   59 1
    63   21   60 1
    64   21   61 1
    65   26   62 1
    66   26   63 1
    67   28   64 1
    68   29   65 1
    69   30   66 1
    70   31   67 1
    71   32   68 1
    72   34   69 1
    73   35   70 1
    74   36   71 1
    75   37   72 1
    76   38   73 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0043
  Crash		| -1.8618
  Polar		| 2.9331
  FragIndex	| 1
  FragRMSD	| 0.455