@<TRIPOS>MOLECULE
BindingDB_19805
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -26.5184  -13.1616   52.7648  C     
2    C       -27.8706  -12.7987   52.8094  C     
3    C       -28.4061  -12.2403   53.9873  C     
4    C       -27.5857  -12.0577   55.1117  C     
5    C       -26.2255  -12.4175   55.0640  C     
6    C       -25.6748  -12.9805   53.8862  C     
7    C       -24.2159  -13.2615   53.7819  C     
8    O       -23.9049  -14.6497   53.6708  O     
9    C       -24.2651  -15.6933   54.4701  C     
10   O       -25.0480  -15.4723   55.5446  O     
11   N       -23.8845  -16.9687   54.2153  N     
12   C       -22.8793  -17.4223   53.2957  C     
13   C       -22.7414  -16.6476   51.9264  C     
14   C       -23.8596  -16.9138   50.8728  C     
15   C       -25.2673  -17.0554   51.5183  C     
16   C       -23.8786  -15.8068   49.7810  C     
17   C       -21.6549  -17.5548   54.0804  C     
18   O       -21.0731  -16.5424   54.4499  O     
19   N       -21.2691  -18.7727   54.4598  N     
20   C       -20.1369  -19.1064   55.2821  C     
21   C       -20.1726  -18.5142   56.5899  C     
22   C       -20.1052  -20.6201   55.6061  C     
23   C       -20.1574  -19.4543   57.6734  C     
24   O       -20.1388  -17.3058   56.7864  O     
25   N       -20.1688  -20.7334   57.0371  N     
26   C       -20.1907  -21.8997   57.7084  C     
27   O       -20.2206  -21.8994   58.9372  O     
28   C       -20.1708  -23.2067   57.0662  C     
29   H       -26.1362  -13.5297   51.8876  H     
30   H       -28.4654  -12.9455   51.9954  H     
31   H       -29.3904  -11.9701   54.0136  H     
32   H       -27.9738  -11.6639   55.9691  H     
33   H       -25.6354  -12.2572   55.8875  H     
34   H       -23.8508  -12.8040   52.8519  H     
35   H       -23.6401  -12.8313   54.6173  H     
36   H       -24.2039  -17.6244   54.8644  H     
37   H       -23.1775  -18.4369   53.0118  H     
38   H       -22.6782  -15.5693   52.0749  H     
39   H       -21.7945  -16.9523   51.4698  H     
40   H       -23.6316  -17.8627   50.3741  H     
41   H       -25.2979  -17.8985   52.2097  H     
42   H       -26.0238  -17.2227   50.7530  H     
43   H       -25.5240  -16.1471   52.0685  H     
44   H       -24.1452  -14.8426   50.2201  H     
45   H       -24.6089  -16.0524   49.0075  H     
46   H       -22.8977  -15.7204   49.3131  H     
47   H       -21.8064  -19.5224   54.1419  H     
48   H       -19.2111  -18.8197   54.7736  H     
49   H       -20.9528  -21.1463   55.1498  H     
50   H       -19.1745  -21.0686   55.2310  H     
51   H       -19.2523  -19.3357   58.2745  H     
52   H       -21.0411  -19.3130   58.3039  H     
53   H       -21.0474  -23.3063   56.4151  H     
54   H       -20.1972  -24.0216   57.7969  H     
55   H       -19.2600  -23.3140   56.4653  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   12   13 1
    14   12   17 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   17   18 2
    19   17   19 am
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   21   23 1
    24   21   24 2
    25   22   25 1
    26   23   25 1
    27   25   26 am
    28   26   27 2
    29   26   28 1
    30    1   29 1
    31    2   30 1
    32    3   31 1
    33    4   32 1
    34    5   33 1
    35    7   34 1
    36    7   35 1
    37   11   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   15   41 1
    43   15   42 1
    44   15   43 1
    45   16   44 1
    46   16   45 1
    47   16   46 1
    48   19   47 1
    49   20   48 1
    50   22   49 1
    51   22   50 1
    52   23   51 1
    53   23   52 1
    54   28   53 1
    55   28   54 1
    56   28   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9378
  Crash		| -1.5473
  Polar		| 2.3866
  FragIndex	| 1
  FragRMSD	| 1.397