@<TRIPOS>MOLECULE
BindingDB_14333
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.8971    1.8378   25.6262  C     
2    C         8.6717    0.6527   24.8605  C     
3    C         8.7640    0.7578   23.4385  C     
4    C         9.0615    1.9830   22.8055  C     
5    C         9.2580    3.1213   23.5974  C     
6    C         9.1936    3.0574   24.9802  C     
7    C         9.6007    5.1300   24.4067  C     
8    N         9.4877    4.4000   23.2805  N     
9    C         8.3518   -0.5907   25.5043  C     
10   N         8.5154   -1.7851   24.9108  N     
11   N         7.8544   -0.6890   26.7541  N     
12   C         9.8462    6.5410   24.4871  C     
13   C        10.3338    9.3375   24.7429  C     
14   C        10.5420    8.7165   23.4884  C     
15   C        10.2788    7.3209   23.3772  C     
16   C         9.8861    8.5966   25.8439  C     
17   C         9.6603    7.2148   25.7199  C     
18   O        10.4269    6.7444   22.1587  O     
19   N         9.4207    4.2927   25.4570  N     
20   C        11.0068    9.4880   22.3820  C     
21   C        10.4078   10.7304   22.0585  C     
22   C        12.0619    9.0220   21.5554  C     
23   C        12.4772    9.7509   20.4271  C     
24   C        11.8577   10.9740   20.1134  C     
25   C        10.8260   11.4665   20.9338  C     
26   F         8.5329   -0.2492   22.6326  F     
27   H         8.8447    1.8297   26.6474  H     
28   H         9.1182    2.0506   21.7897  H     
29   H         9.5164    4.7468   22.3770  H     
30   H         8.2983   -2.6037   25.3918  H     
31   H         7.6563   -1.5724   27.1119  H     
32   H         7.6828    0.0964   27.2981  H     
33   H        10.5244   10.3371   24.8647  H     
34   H         9.7446    9.0609   26.7430  H     
35   H         9.3499    6.7068   26.5525  H     
36   H        11.3180    6.3390   22.1862  H     
37   H         9.6367   11.0974   22.6251  H     
38   H        12.5343    8.1379   21.7677  H     
39   H        13.2292    9.3919   19.8312  H     
40   H        12.1568   11.5031   19.2905  H     
41   H        10.3738   12.3542   20.7042  H     
42   H         8.8864   -1.8617   24.0249  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    9 1
     5    3    4 1
     6    3   26 1
     7    4    5 2
     8    5    6 1
     9    5    8 1
    10    6   19 1
    11    7    8 1
    12    7   12 1
    13    7   19 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   17 1
    18   13   14 2
    19   13   16 1
    20   14   15 1
    21   14   20 1
    22   15   18 1
    23   16   17 2
    24   20   21 1
    25   20   22 2
    26   21   25 2
    27   22   23 1
    28   23   24 2
    29   24   25 1
    30    1   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   18   36 1
    40   21   37 1
    41   22   38 1
    42   23   39 1
    43   24   40 1
    44   25   41 1
    45   10   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4044
  Crash		| -1.1731
  Polar		| 4.5666
  FragIndex	| 1
  FragRMSD	| 1.024