@<TRIPOS>MOLECULE
BindingDB_24147
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.4228   80.0792   46.8374  C     
2    C        23.6908   80.0255   45.6515  C     
3    C        23.9957   80.8347   47.9499  C     
4    C        22.7252   81.4993   47.8706  C     
5    C        24.9494   81.1607   49.0715  C     
6    C        22.1509   82.0509   49.1504  C     
7    C        24.1646   81.5000   50.3762  C     
8    N        23.1543   82.4854   50.1001  N     
9    C        26.2138   80.3593   49.2937  C     
10   C        28.7683   79.1945   49.7718  C     
11   C        28.5300   79.8948   48.5839  C     
12   C        27.2693   80.4679   48.3530  C     
13   C        26.4690   79.6056   50.4679  C     
14   C        27.7385   79.0416   50.7131  C     
15   C        23.0382   83.6251   50.8090  C     
16   O        21.8961   83.9574   51.1177  O     
17   N        24.0493   84.4092   51.2453  N     
18   C        25.3218   84.4626   50.5643  C     
19   C        23.8181   85.4151   52.2576  C     
20   O        28.0022   78.4068   51.8753  O     
21   C        22.5134   80.7766   45.5214  C     
22   C        22.0001   81.5164   46.6317  C     
23   C        21.8722   80.8033   44.2638  C     
24   C        20.7169   81.5773   44.0764  C     
25   C        20.2073   82.3283   45.1433  C     
26   C        20.8185   82.2759   46.4031  C     
27   H        25.3308   79.6046   46.8478  H     
28   H        24.0694   79.5033   44.8613  H     
29   H        25.3418   82.1338   48.7607  H     
30   H        21.4643   82.8740   48.9589  H     
31   H        21.5612   81.2478   49.6138  H     
32   H        23.6767   80.5916   50.7313  H     
33   H        24.8411   81.8073   51.1792  H     
34   H        29.6953   78.8019   49.9519  H     
35   H        29.2731   80.0018   47.8929  H     
36   H        27.1297   80.9675   47.4757  H     
37   H        25.7623   79.4936   51.1908  H     
38   H        26.0535   83.8297   51.0777  H     
39   H        25.7237   85.4808   50.5490  H     
40   H        25.2573   84.1664   49.5054  H     
41   H        23.1338   86.1790   51.8868  H     
42   H        24.7396   85.9198   52.5863  H     
43   H        23.3772   84.9448   53.1388  H     
44   H        27.2473   77.7894   52.0188  H     
45   H        22.2633   80.3120   43.4510  H     
46   H        20.2514   81.6007   43.1662  H     
47   H        19.3998   82.9288   44.9952  H     
48   H        20.3984   82.8515   47.1243  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    2   21 1
     4    3    4 2
     5    3    5 1
     6    4    6 1
     7    4   22 1
     8    5    7 1
     9    5    9 1
    10    6    8 1
    11    7    8 1
    12    8   15 am
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   11   12 1
    18   13   14 2
    19   14   20 1
    20   15   16 2
    21   15   17 am
    22   17   18 1
    23   17   19 1
    24   21   22 2
    25   21   23 1
    26   22   26 1
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30    1   27 1
    31    2   28 1
    32    5   29 1
    33    6   30 1
    34    6   31 1
    35    7   32 1
    36    7   33 1
    37   10   34 1
    38   11   35 1
    39   12   36 1
    40   13   37 1
    41   18   38 1
    42   18   39 1
    43   18   40 1
    44   19   41 1
    45   19   42 1
    46   19   43 1
    47   20   44 1
    48   23   45 1
    49   24   46 1
    50   25   47 1
    51   26   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6393
  Crash		| -2.6098
  Polar		| 0.9841
  FragIndex	| 1
  FragRMSD	| 0.958