@<TRIPOS>MOLECULE
BindingDB_14787
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.6730   49.1435  -10.2246  C     
2    C         1.1868   48.6329  -11.4335  C     
3    C         2.3172   48.2256  -12.1430  C     
4    N         3.3893   48.4701  -11.3740  N     
5    N         3.0253   49.0053  -10.2463  N     
6    C        -0.1526   48.6109  -11.8781  C     
7    O        -0.4292   48.6904  -13.2008  O     
8    O        -1.1629   48.5945  -10.9734  O     
9    C        -2.5679   48.6728  -11.2291  C     
10   C        -3.2280   49.6622  -10.2437  C     
11   C         3.9547   49.3495   -9.2950  C     
12   C         5.1393   50.0182   -9.6926  C     
13   C         6.1200   50.3871   -8.7555  C     
14   C         5.9433   50.0865   -7.3941  C     
15   C         3.7850   49.0496   -7.9193  C     
16   C         4.7720   49.4317   -6.9629  C     
17   C         4.5341   49.1663   -5.5968  C     
18   C         3.3320   48.5458   -5.2021  C     
19   C         2.3953   48.1720   -6.1809  C     
20   N         2.6586   48.4207   -7.4835  N     
21   C         2.4089   47.6283  -13.4888  C     
22   C         0.8464   49.8138   -9.1869  C     
23   H        -2.7342   49.0257  -12.2505  H     
24   H        -3.0267   47.6858  -11.1157  H     
25   H        -3.1869   49.2527   -9.2284  H     
26   H        -4.2755   49.8104  -10.5182  H     
27   H        -2.7107   50.6303  -10.2565  H     
28   H         5.2869   50.2652  -10.6747  H     
29   H         6.9629   50.8744   -9.0677  H     
30   H         6.6636   50.3637   -6.7199  H     
31   H         5.2169   49.4367   -4.8805  H     
32   H         3.1359   48.3586   -4.2195  H     
33   H         1.5210   47.7127   -5.9282  H     
34   H         1.8188   46.7102  -13.5250  H     
35   H         3.4455   47.3861  -13.7329  H     
36   H         2.0331   48.3343  -14.2305  H     
37   H         0.1964   50.5666   -9.6397  H     
38   H         1.4641   50.3215   -8.4492  H     
39   H         0.2305   49.0732   -8.6764  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   22 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   21 1
     8    4    5 1
     9    5   11 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   11   12 2
    15   11   15 1
    16   12   13 1
    17   13   14 2
    18   14   16 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    9   23 1
    26    9   24 1
    27   10   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9403
  Crash		| -1.1992
  Polar		| 1.1318
  FragIndex	| 1
  FragRMSD	| 0.518