@<TRIPOS>MOLECULE
BindingDB_50300264
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.5707    3.7302   26.1634  C     
2    C         4.3453    3.1219   26.4715  C     
3    C         4.1369    2.5340   27.7328  C     
4    C         5.1642    2.5947   28.7063  C     
5    C         6.4048    3.2105   28.4024  C     
6    C         6.6215    3.7896   27.1153  C     
7    O         2.9028    1.9983   27.9816  O     
8    C         2.7090    0.6489   27.5187  C     
9    C         1.4424    0.5860   26.7804  C     
10   O         0.3946   -0.2343   27.0293  O     
11   N        -0.5091   -0.0077   26.1167  N     
12   C        -0.0623    0.9556   25.2889  C     
13   N         1.1549    1.3326   25.7115  N     
14   C        -0.7200    1.4737   24.1615  C     
15   C         7.8045    4.4421   26.7604  C     
16   O         7.7281    5.5971   26.3530  O     
17   C         8.9508    3.7665   26.4693  C     
18   C         9.1233    3.2892   25.0861  C     
19   C         9.9304    3.7301   27.3936  C     
20   Cl        7.6006    3.3120   29.6194  Cl    
21   C        -1.3228    0.6232   23.1999  C     
22   C        -1.9093    1.1434   22.0432  C     
23   C        -1.9694    2.5454   21.8184  C     
24   C        -1.4015    3.3979   22.7995  C     
25   C        -0.7801    2.8719   23.9339  C     
26   C        -2.6039    3.0735   20.5860  C     
27   F        -2.6757    4.4542   20.5076  F     
28   F        -1.9049    2.6555   19.4698  F     
29   F        -3.9025    2.6159   20.4759  F     
30   Cl        4.8417    1.9475   30.2430  Cl    
31   C        10.1643    2.1748   24.7934  C     
32   H         5.6934    4.1501   25.2332  H     
33   H         3.6067    3.1048   25.7653  H     
34   H         3.4943    0.3065   26.8371  H     
35   H         2.6688   -0.0356   28.3634  H     
36   H         8.1580    2.9031   24.7358  H     
37   H         9.3795    4.1531   24.4630  H     
38   H        10.8042    3.3133   27.2096  H     
39   H         9.8147    4.1358   28.2942  H     
40   H        -1.2957   -0.3940   23.3275  H     
41   H        -2.3137    0.5015   21.3590  H     
42   H        -1.4183    4.4130   22.6761  H     
43   H        -0.3663    3.5223   24.6153  H     
44   H        11.1717    2.5325   25.0062  H     
45   H        10.1158    1.8929   23.7360  H     
46   H         9.9643    1.2862   25.3947  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    4   30 1
     8    5    6 2
     9    5   20 1
    10    6   15 1
    11    7    8 1
    12    8    9 1
    13    9   10 1
    14    9   13 2
    15   10   11 1
    16   11   12 2
    17   12   13 1
    18   12   14 1
    19   14   21 2
    20   14   25 1
    21   15   16 2
    22   15   17 1
    23   17   18 1
    24   17   19 2
    25   18   31 1
    26   21   22 1
    27   22   23 2
    28   23   24 1
    29   23   26 1
    30   24   25 2
    31   26   27 1
    32   26   28 1
    33   26   29 1
    34    1   32 1
    35    2   33 1
    36    8   34 1
    37    8   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   21   40 1
    43   22   41 1
    44   24   42 1
    45   25   43 1
    46   31   44 1
    47   31   45 1
    48   31   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.6308
  Crash		| -0.9645
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.347