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


@<TRIPOS>ATOM
1    C       -26.0250  -13.3805   55.7146  C     
2    C       -27.2066  -12.7392   56.1386  C     
3    C       -27.2636  -12.1213   57.4009  C     
4    C       -26.1342  -12.1394   58.2405  C     
5    C       -24.9565  -12.7869   57.8174  C     
6    C       -24.8874  -13.4266   56.5558  C     
7    C       -23.6372  -14.1191   56.1366  C     
8    O       -23.8253  -15.4236   55.5548  O     
9    C       -24.6269  -16.4233   56.0056  C     
10   O       -25.4732  -16.2070   57.0379  O     
11   N       -24.6880  -17.6393   55.4162  N     
12   C       -23.8927  -18.1411   54.3302  C     
13   C       -24.0079  -17.2970   53.0074  C     
14   C       -25.0946  -17.7397   51.9706  C     
15   C       -24.8206  -19.1508   51.3784  C     
16   C       -26.5446  -17.6363   52.5180  C     
17   C       -22.5073  -18.3418   54.7703  C     
18   O       -21.8391  -17.3766   55.1291  O     
19   N       -21.9978  -19.5728   54.7925  N     
20   C       -20.6757  -19.9567   55.1890  C     
21   C       -20.3874  -19.5655   56.5431  C     
22   C       -20.5047  -21.4973   55.2516  C     
23   C       -20.1674  -20.6566   57.4458  C     
24   O       -20.3404  -18.4019   56.9104  O     
25   N       -20.2829  -21.8231   56.6323  N     
26   C       -20.1687  -23.0687   57.1165  C     
27   O       -19.9819  -23.2379   58.3190  O     
28   C       -20.2454  -24.2609   56.2918  C     
29   H       -26.0064  -13.8305   54.7982  H     
30   H       -28.0348  -12.7409   55.5370  H     
31   H       -28.1257  -11.6664   57.7135  H     
32   H       -26.1723  -11.6982   59.1630  H     
33   H       -24.1513  -12.7986   58.4484  H     
34   H       -23.1248  -13.4994   55.3956  H     
35   H       -22.9610  -14.2397   56.9893  H     
36   H       -25.3265  -18.2697   55.8044  H     
37   H       -24.3077  -19.1295   54.1113  H     
38   H       -24.2053  -16.2536   53.2681  H     
39   H       -23.0503  -17.3018   52.4807  H     
40   H       -25.0302  -17.0353   51.1372  H     
41   H       -23.7941  -19.2118   51.0044  H     
42   H       -25.5008  -19.3480   50.5409  H     
43   H       -24.9654  -19.9258   52.1379  H     
44   H       -26.6955  -18.3151   53.3570  H     
45   H       -27.2596  -17.8933   51.7360  H     
46   H       -26.7582  -16.6186   52.8428  H     
47   H       -22.5766  -20.2892   54.4880  H     
48   H       -19.9330  -19.5310   54.5078  H     
49   H       -21.3904  -22.0157   54.8709  H     
50   H       -19.6403  -21.8058   54.6545  H     
51   H       -19.1675  -20.5809   57.8754  H     
52   H       -20.9210  -20.6480   58.2376  H     
53   H       -21.2246  -24.3200   55.8144  H     
54   H       -20.0961  -25.1755   56.8720  H     
55   H       -19.4749  -24.2229   55.5203  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	| 4.4328
  Crash		| -1.0405
  Polar		| 3.1630
  FragIndex	| 1
  FragRMSD	| 1.024