@<TRIPOS>MOLECULE
BindingDB_14771
 41 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.7121    0.0074  -12.7171  C     
2    C         2.6176    1.1563  -13.1982  C     
3    C         1.7532    1.9478  -14.1862  C     
4    C         0.8127    0.9060  -14.8380  C     
5    C         0.9589   -0.3916  -14.0129  C     
6    O         0.7253    0.3511  -11.7239  O     
7    C         1.0741    0.9513  -10.5376  C     
8    C         2.3341    0.7800   -9.9442  C     
9    C         2.6474    1.4253   -8.7207  C     
10   C         1.6702    2.2318   -8.0942  C     
11   C         0.3975    2.3856   -8.6768  C     
12   C         0.0864    1.7362   -9.8981  C     
13   O        -1.1134    1.8051  -10.5662  O     
14   C        -2.2718    2.3848   -9.9595  C     
15   C         3.9127    1.2945   -8.1733  C     
16   C         4.1130    0.3825   -7.0472  C     
17   N         4.8884    1.8553   -8.7893  N     
18   O         6.1165    1.8781   -8.4509  O     
19   C         7.1330    1.4765   -9.2674  C     
20   O         6.8979    0.8955  -10.4842  O     
21   N         8.3871    1.6028   -8.8417  N     
22   H         2.3074   -0.8414  -12.3684  H     
23   H         2.9693    1.7796  -12.3814  H     
24   H         3.4838    0.7383  -13.7300  H     
25   H         1.1685    2.7004  -13.6493  H     
26   H         2.3734    2.4513  -14.9352  H     
27   H        -0.2269    1.2663  -14.8194  H     
28   H         1.0968    0.7369  -15.8853  H     
29   H         1.5454   -1.1177  -14.5820  H     
30   H        -0.0178   -0.8355  -13.8033  H     
31   H         3.0141    0.1550  -10.3729  H     
32   H         1.8838    2.7222   -7.2166  H     
33   H        -0.2947    2.9767   -8.2127  H     
34   H        -2.4946    1.9411   -8.9882  H     
35   H        -3.1260    2.1897  -10.6229  H     
36   H        -2.1594    3.4643   -9.8569  H     
37   H         3.4279    0.6176   -6.2251  H     
38   H         5.1393    0.4010   -6.6666  H     
39   H         3.8929   -0.6322   -7.4024  H     
40   H         9.1233    1.3367   -9.4102  H     
41   H         8.5600    2.0192   -7.9863  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 1
     6    4    5 1
     7    6    7 1
     8    7    8 1
     9    7   12 2
    10    8    9 2
    11    9   10 1
    12    9   15 1
    13   10   11 2
    14   11   12 1
    15   12   13 1
    16   13   14 1
    17   15   16 1
    18   15   17 2
    19   17   18 1
    20   18   19 1
    21   19   20 2
    22   19   21 am
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    3   26 1
    28    4   27 1
    29    4   28 1
    30    5   29 1
    31    5   30 1
    32    8   31 1
    33   10   32 1
    34   11   33 1
    35   14   34 1
    36   14   35 1
    37   14   36 1
    38   16   37 1
    39   16   38 1
    40   16   39 1
    41   21   40 1
    42   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8027
  Crash		| -0.6284
  Polar		| 1.0818
  FragIndex	| 1
  FragRMSD	| 1.264