@<TRIPOS>MOLECULE
BindingDB_17140
 45 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.6213    9.7509   19.4885  C     
2    C         7.5088    9.2694   18.5593  C     
3    N         6.8785   10.0946   19.3580  N     
4    O         8.6801    9.4207   18.2598  O     
5    O         4.8380   10.3934   20.1664  O     
6    C         5.3912    8.6383   18.7274  C     
7    C         6.6222    8.3208   18.1215  C     
8    C         6.7209    7.2150   17.2348  C     
9    C         5.5693    6.4557   16.9727  C     
10   C         7.7404    6.6278   16.4740  C     
11   C         7.1669    5.5450   15.7846  C     
12   C         7.9585    4.7245   14.9503  C     
13   C         9.3306    5.0069   14.8062  C     
14   C         9.9057    6.0960   15.4867  C     
15   C         9.1127    6.9124   16.3215  C     
16   C         4.3387    6.7799   17.5853  C     
17   C         4.2350    7.8685   18.4652  C     
18   N         3.1373    6.1757   17.4446  N     
19   N         5.8441    5.4652   16.0913  N     
20   C         2.8983    5.0017   16.6416  C     
21   C         3.3930    3.7121   17.3336  C     
22   C         4.6585    3.3189   16.5521  C     
23   C         4.8911    4.5002   15.5868  C     
24   O         3.5956    5.0784   15.3893  O     
25   C         2.8926    7.9059   18.8748  C     
26   C         2.2468    6.8380   18.2328  C     
27   C         0.8794    6.5793   18.4708  C     
28   C         2.1676    8.7499   19.7427  C     
29   C         0.7991    8.5058   19.9678  C     
30   C         0.1576    7.4199   19.3397  C     
31   H         7.2778   10.8752   19.7747  H     
32   H         7.5558    3.9271   14.4590  H     
33   H         9.9127    4.4155   14.2083  H     
34   H        10.9027    6.2923   15.3828  H     
35   H         9.5506    7.6873   16.8072  H     
36   H         1.8360    4.9156   16.4027  H     
37   H         3.6229    3.8807   18.3910  H     
38   H         2.6397    2.9236   17.2625  H     
39   H         5.5114    3.1589   17.2152  H     
40   H         4.4736    2.4028   15.9848  H     
41   H         5.2168    4.1209   14.6156  H     
42   H         0.4052    5.7923   18.0257  H     
43   H         2.6050    9.5330   20.2163  H     
44   H         0.2673    9.1168   20.5931  H     
45   H        -0.8321    7.2450   19.5129  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 2
     3    1    6 1
     4    2    3 1
     5    2    4 2
     6    2    7 1
     7    6    7 1
     8    6   17 2
     9    7    8 2
    10    8    9 1
    11    8   10 1
    12    9   16 2
    13    9   19 1
    14   10   11 2
    15   10   15 1
    16   11   12 1
    17   11   19 1
    18   12   13 2
    19   13   14 1
    20   14   15 2
    21   16   17 1
    22   16   18 1
    23   17   25 1
    24   18   20 1
    25   18   26 1
    26   19   23 1
    27   20   21 1
    28   20   24 1
    29   21   22 1
    30   22   23 1
    31   23   24 1
    32   25   26 2
    33   25   28 1
    34   26   27 1
    35   27   30 2
    36   28   29 2
    37   29   30 1
    38    3   31 1
    39   12   32 1
    40   13   33 1
    41   14   34 1
    42   15   35 1
    43   20   36 1
    44   21   37 1
    45   21   38 1
    46   22   39 1
    47   22   40 1
    48   23   41 1
    49   27   42 1
    50   28   43 1
    51   29   44 1
    52   30   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3562
  Crash		| -0.5685
  Polar		| 2.1392
  FragIndex	| 1
  FragRMSD	| 0.653