@<TRIPOS>MOLECULE
BindingDB_12129
 54 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.2174   -2.7407    9.6862  C     
2    C        23.0615   -1.8448    8.6244  C     
3    N        24.2238   -1.8420    7.9314  N     
4    C        25.0887   -2.7189    8.4760  C     
5    C        24.4859   -3.2965    9.5891  C     
6    C        26.3889   -3.0977    8.1016  C     
7    C        27.0643   -4.0739    8.8649  C     
8    C        25.1522   -4.2540   10.3804  C     
9    C        21.9481   -1.0890    8.2846  C     
10   C        20.6511   -1.1589    8.7400  C     
11   C        18.6157    0.1045    8.2462  C     
12   C        19.9813   -0.1555    8.0532  C     
13   C        19.9331   -1.9655    9.6436  C     
14   C        18.5627   -1.7129    9.8625  C     
15   C        17.8773   -0.6805    9.1675  C     
16   N        22.0058   -0.1496    7.4077  N     
17   N        20.8825    0.4162    7.2563  N     
18   C        26.4633   -4.6610   10.0146  C     
19   C        27.2461   -5.6755   10.7865  C     
20   C        26.2168   -8.5749   12.1262  C     
21   C        28.4441   -7.7382   13.0346  C     
22   C        27.8192   -6.3247   13.1714  C     
23   C        25.6802   -7.1139   12.1922  C     
24   N        26.7399   -6.0462   12.1605  N     
25   C        27.3447   -8.8200   13.1591  C     
26   C        14.6343    0.2932    9.1371  C     
27   C        14.5904   -0.7058    9.9973  C     
28   N        16.5418   -0.4644    9.3599  N     
29   N        15.8457    0.4231    8.7665  N     
30   N        15.7793   -1.1502   10.1180  N     
31   H        22.5507   -2.9689   10.4216  H     
32   H        24.4021   -1.3063    7.1404  H     
33   H        26.8332   -2.6766    7.2826  H     
34   H        28.0110   -4.3473    8.5822  H     
35   H        24.6741   -4.6562   11.1929  H     
36   H        18.1724    0.8535    7.7107  H     
37   H        20.3759   -2.7363   10.1371  H     
38   H        18.0665   -2.3022   10.5322  H     
39   H        20.7028    1.1541    6.6544  H     
40   H        27.3506   -6.5743   10.1730  H     
41   H        28.2521   -5.2572   10.8878  H     
42   H        25.3960   -9.2725   12.3220  H     
43   H        26.5959   -8.7780   11.1203  H     
44   H        28.9391   -7.8282   12.0632  H     
45   H        29.1999   -7.8905   13.8097  H     
46   H        27.3933   -6.2276   14.1744  H     
47   H        28.6161   -5.5781   13.1135  H     
48   H        24.9698   -6.9654   11.3760  H     
49   H        25.1170   -7.0006   13.1240  H     
50   H        26.2883   -5.2006   12.5141  H     
51   H        26.9280   -8.7980   14.1701  H     
52   H        27.7820   -9.8089   12.9975  H     
53   H        13.8662    0.8330    8.8189  H     
54   H        13.7860   -1.0471   10.4664  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   28 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 1
    32   26   29 2
    33   27   30 2
    34   28   29 1
    35   28   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   26   53 1
    59   27   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3777
  Crash		| -0.8344
  Polar		| 3.0062
  FragIndex	| 1
  FragRMSD	| 1.183