@<TRIPOS>MOLECULE
BindingDB_12126
 54 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.0024   -2.4719    9.6178  C     
2    C        19.2845   -1.3488    9.1728  C     
3    N        20.1879   -0.4850    8.6585  N     
4    C        21.4238   -0.9988    8.7350  C     
5    C        21.3455   -2.2538    9.3363  C     
6    C        22.6433   -0.4750    8.2972  C     
7    C        23.8083   -1.2863    8.4486  C     
8    C        22.4964   -3.0403    9.5308  C     
9    C        17.9182   -1.0900    9.1723  C     
10   C        16.8770   -1.7084    9.8305  C     
11   C        14.4519   -1.3622    9.8498  C     
12   C        15.7408   -1.0363    9.4051  C     
13   C        16.7394   -2.7507   10.7647  C     
14   C        15.4510   -3.0942   11.2325  C     
15   C        14.2826   -2.4100   10.7997  C     
16   N        17.4167   -0.1475    8.4546  N     
17   N        16.1559   -0.0860    8.5697  N     
18   C        23.7658   -2.5324    9.0923  C     
19   C        25.0038   -3.3576    9.2203  C     
20   C        27.2989   -0.9922    9.5329  C     
21   C        28.2554   -3.3519    9.3232  C     
22   C        27.1928   -3.8274   10.3527  C     
23   C        26.2587   -1.5523   10.5406  C     
24   N        25.9354   -3.0048   10.3574  N     
25   C        28.5877   -1.8519    9.5225  C     
26   C        11.8710   -2.2143   11.0342  C     
27   C        10.9957   -2.8305   11.8205  C     
28   N        13.0500   -2.7332   11.3079  N     
29   N        12.8303   -3.6114   12.2125  N     
30   N        11.6472   -3.6741   12.5162  N     
31   H        19.6300   -3.3271   10.0325  H     
32   H        19.9741    0.3918    8.2981  H     
33   H        22.7020    0.4306    7.8425  H     
34   H        24.6863   -0.9095    8.0850  H     
35   H        22.4221   -3.9553    9.9694  H     
36   H        13.6657   -0.8175    9.5013  H     
37   H        17.5536   -3.2470   11.1200  H     
38   H        15.3801   -3.8597   11.9101  H     
39   H        15.5716    0.5410    8.1148  H     
40   H        24.7085   -4.4005    9.3364  H     
41   H        25.5478   -3.3130    8.2715  H     
42   H        26.8703   -0.9778    8.5267  H     
43   H        27.5570    0.0390    9.7996  H     
44   H        29.1677   -3.9430    9.4410  H     
45   H        27.8855   -3.5086    8.3094  H     
46   H        26.9664   -4.8825   10.1664  H     
47   H        27.6405   -3.7825   11.3519  H     
48   H        26.6527   -1.4177   11.5539  H     
49   H        25.3539   -0.9430   10.4917  H     
50   H        25.4611   -3.2763   11.2278  H     
51   H        29.2448   -1.5130    8.7167  H     
52   H        29.1204   -1.7167   10.4695  H     
53   H        11.6470   -1.5015   10.3835  H     
54   H        10.0217   -2.6581   11.8711  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 2
    32   26   28 1
    33   27   30 1
    34   28   29 1
    35   29   30 2
    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	| 5.4015
  Crash		| -0.7009
  Polar		| 2.4702
  FragIndex	| 1
  FragRMSD	| 0.554