@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2357   20.3370   -5.0032  C     
2    C        14.1712   18.8765   -6.7014  C     
3    O        15.1859   18.7938   -7.3869  O     
4    C        12.9729   18.2366   -7.2169  C     
5    C        11.8534   17.8189   -6.2801  C     
6    C        10.4844   17.6022   -6.6918  C     
7    O        10.2166   16.8168   -7.5937  O     
8    N         9.5393   18.2645   -6.0377  N     
9    C         8.1140   18.1150   -6.1831  C     
10   C         7.5100   18.9489   -7.2336  C     
11   O         7.6049   20.1636   -7.0886  O     
12   C         7.3879   18.3541   -4.8052  C     
13   C         8.0215   17.4935   -3.6748  C     
14   O        12.7856   16.8788   -6.8284  O     
15   N        14.1490   19.6230   -5.5943  N     
16   C        16.3609   19.4679   -4.5554  C     
17   C        16.1823   18.0736   -4.4314  C     
18   C        17.6228   20.0237   -4.2294  C     
19   C        18.6826   19.1959   -3.8105  C     
20   C        18.4983   17.8089   -3.7125  C     
21   C        17.2420   17.2405   -4.0258  C     
22   C         7.2720   19.8677   -4.3667  C     
23   C         5.8221   20.3472   -4.1382  C     
24   C         5.6450   17.0298   -9.7955  C     
25   C         6.6567   17.0959   -8.6357  C     
26   C         5.8721   19.3148   -9.0350  C     
27   C         5.5789   18.4782  -10.2937  C     
28   N         6.7281   18.4781   -8.2235  N     
29   C         4.6306   19.6677   -8.2896  C     
30   O         3.9022   18.7391   -7.6225  O     
31   O         4.0480   20.8690   -8.4775  O     
32   H        15.5673   21.1189   -5.6984  H     
33   H        14.8435   20.8411   -4.1156  H     
34   H        12.7228   18.3940   -8.2681  H     
35   H        12.0178   17.8766   -5.2091  H     
36   H         9.8535   18.8682   -5.3448  H     
37   H         7.9671   17.0655   -6.4510  H     
38   H         6.3708   17.9560   -4.9181  H     
39   H         8.0127   16.4310   -3.9503  H     
40   H         7.4415   17.6099   -2.7553  H     
41   H         9.0565   17.7946   -3.4777  H     
42   H        13.3020   19.6991   -5.1273  H     
43   H        15.2791   17.6464   -4.6587  H     
44   H        17.7718   21.0313   -4.2753  H     
45   H        19.5953   19.6017   -3.5779  H     
46   H        19.2660   17.2023   -3.4208  H     
47   H        17.1041   16.2311   -3.9487  H     
48   H         7.8273   20.0449   -3.4327  H     
49   H         7.7300   20.5282   -5.1088  H     
50   H         5.2385   20.2612   -5.0584  H     
51   H         5.8267   21.3954   -3.8250  H     
52   H         5.3427   19.7499   -3.3554  H     
53   H         5.9731   16.3521  -10.5856  H     
54   H         4.6642   16.7047   -9.4352  H     
55   H         6.3273   16.4493   -7.8210  H     
56   H         7.6453   16.7721   -8.9777  H     
57   H         6.3821   20.2332   -9.3408  H     
58   H         6.3581   18.6478  -11.0433  H     
59   H         4.6077   18.7045  -10.7452  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 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   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2309
  Crash		| -2.0093
  Polar		| 3.9273
  FragIndex	| 1
  FragRMSD	| 1.032