@<TRIPOS>MOLECULE
BindingDB_12123
 53 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.5313   -2.2209    9.2681  C     
2    C        18.9574   -0.9574    9.1186  C     
3    N        19.8666   -0.1748    8.4992  N     
4    C        20.9775   -0.8832    8.2234  C     
5    C        20.7894   -2.1768    8.6938  C     
6    C        22.1651   -0.5358    7.5574  C     
7    C        23.1480   -1.5315    7.3570  C     
8    C        21.7517   -3.1791    8.5043  C     
9    C        17.6460   -0.6078    9.3948  C     
10   C        16.7306   -1.2682   10.1803  C     
11   C        14.3001   -1.1781   10.3873  C     
12   C        15.5091   -0.7063    9.8510  C     
13   C        16.7903   -2.2780   11.1573  C     
14   C        15.5880   -2.7707   11.7072  C     
15   C        14.3263   -2.2579   11.3054  C     
16   N        17.0153    0.2913    8.7254  N     
17   N        15.7737    0.2670    8.9800  N     
18   C        22.9502   -2.8599    7.8178  C     
19   C        23.9612   -3.9257    7.5624  C     
20   C        24.7692   -6.7059    6.1153  C     
21   C        22.5333   -5.9974    5.4997  C     
22   C        23.0492   -4.5542    5.2610  C     
23   C        25.3079   -5.2585    5.9218  C     
24   N        24.2374   -4.2192    6.1144  N     
25   O        23.6006   -6.9489    5.3084  O     
26   C        13.1064   -2.8100   11.7833  C     
27   C        12.9065   -3.9875   12.4977  C     
28   C        11.5395   -4.0985   12.6805  C     
29   N        11.8751   -2.2997   11.5834  N     
30   N        10.9504   -3.0421   12.1057  N     
31   H        19.0892   -3.0644    9.6288  H     
32   H        19.7281    0.7525    8.2734  H     
33   H        22.2989    0.4092    7.1994  H     
34   H        24.0074   -1.2836    6.8611  H     
35   H        21.5613   -4.1273    8.8399  H     
36   H        13.4245   -0.7544   10.0839  H     
37   H        17.6804   -2.6658   11.4650  H     
38   H        15.6543   -3.5205   12.3961  H     
39   H        15.1029    0.8333    8.5595  H     
40   H        24.8922   -3.5972    8.0299  H     
41   H        23.6695   -4.8474    8.0731  H     
42   H        25.5354   -7.4208    5.8128  H     
43   H        24.5386   -6.8946    7.1642  H     
44   H        22.1091   -6.0917    6.5030  H     
45   H        21.7424   -6.2223    4.7791  H     
46   H        23.3504   -4.4698    4.2121  H     
47   H        22.2369   -3.8386    5.4067  H     
48   H        26.1535   -5.0843    6.5971  H     
49   H        25.7003   -5.1737    4.9033  H     
50   H        24.6216   -3.3463    5.7334  H     
51   H        13.6107   -4.6577   12.8127  H     
52   H        11.0592   -4.8559   13.1670  H     
53   H        11.6909   -1.4781   11.0996  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   26 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   29 1
    33   27   28 1
    34   28   30 2
    35   29   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   27   51 1
    57   28   52 1
    58   29   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1284
  Crash		| -0.3423
  Polar		| 1.7246
  FragIndex	| 1
  FragRMSD	| 1.039