@<TRIPOS>MOLECULE
BindingDB_11425
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.6592    4.0784   14.6355  C     
2    C        -2.4802    5.0806   13.7353  C     
3    N        -3.4053    6.0747   13.5631  N     
4    S        -5.0537    5.7545   13.8045  S     
5    O        -5.7743    6.8879   14.6496  O     
6    O        -5.8494    5.4047   12.4703  O     
7    C        -3.8847    3.7380   15.1996  C     
8    C        -5.0663    4.3996   14.8548  C     
9    C        -4.1028    2.6406   16.0487  C     
10   C        -5.4499    2.3954   16.3454  C     
11   S        -6.3955    3.5936   15.5645  S     
12   N        -7.6117    1.2895   17.8978  N     
13   S        -6.1000    1.0404   17.2052  S     
14   O        -6.1711   -0.2261   16.2457  O     
15   O        -5.0824    0.6710   18.3743  O     
16   C        -1.2632    5.0823   12.8988  C     
17   C        -1.4764    2.6941   11.9815  C     
18   N        -0.6322    3.7733   12.5636  N     
19   C        -3.0519    7.3931   13.4153  C     
20   C        -2.1882    8.0276   14.3457  C     
21   C        -1.7894    9.3670   14.1849  C     
22   C        -2.2575   10.0987   13.0776  C     
23   C        -3.1173    9.4871   12.1364  C     
24   C        -3.5061    8.1512   12.3054  C     
25   O        -0.9741    9.9688   15.0785  O     
26   C        -1.4390    2.6916   10.6167  C     
27   C        -1.4435    2.6763    9.4348  C     
28   H        -1.8901    3.4681   14.8206  H     
29   H        -3.3563    2.0134   16.3689  H     
30   H        -7.7328    1.1118   18.8408  H     
31   H        -8.3134    1.7094   17.3759  H     
32   H        -1.4569    5.5619   11.9284  H     
33   H        -0.5024    5.7011   13.3999  H     
34   H        -1.1120    1.7314   12.3498  H     
35   H        -2.5334    2.7901   12.2619  H     
36   H         0.1292    3.9847   11.9062  H     
37   H        -0.1813    3.4299   13.4194  H     
38   H        -1.8464    7.4990   15.1593  H     
39   H        -1.9767   11.0776   12.9515  H     
40   H        -3.4483   10.0290   11.3332  H     
41   H        -4.1111    7.7222   11.6035  H     
42   H        -0.1516    9.4137   15.1047  H     
43   H        -1.4667    2.6626    8.5208  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   19 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   18 1
    20   17   18 1
    21   17   26 1
    22   19   20 2
    23   19   24 1
    24   20   21 1
    25   21   22 2
    26   21   25 1
    27   22   23 1
    28   23   24 2
    29   26   27 3
    30    1   28 1
    31    9   29 1
    32   12   30 1
    33   12   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   20   38 1
    41   22   39 1
    42   23   40 1
    43   24   41 1
    44   25   42 1
    45   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3510
  Crash		| -1.8010
  Polar		| 4.7513
  FragIndex	| 1
  FragRMSD	| 0.886