@<TRIPOS>MOLECULE
BindingDB_5545
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.6703   -9.0997   11.4066  C     
2    C        10.9654  -10.7208   11.8763  C     
3    N        11.5740  -11.0710   13.0498  N     
4    N        11.5011   -9.7325   11.0949  N     
5    C        13.3135   -9.4611   12.6031  C     
6    C        12.7309  -10.4456   13.4057  C     
7    C        14.5033   -9.6633   14.3794  C     
8    N        14.4133   -8.9811   13.2206  N     
9    N        13.5003  -10.5519   14.4913  N     
10   O        13.1041   -8.0024   10.7036  O     
11   N         9.8075  -11.3312   11.5493  N     
12   C        13.2244   -8.1675    9.2681  C     
13   C        12.8846   -6.8230    8.5561  C     
14   C        15.4245   -5.5022    7.5883  C     
15   C        15.0307   -5.5146    9.0855  C     
16   C        13.4923   -5.5621    9.2452  C     
17   C        13.2551   -6.8108    7.0383  C     
18   C        14.7823   -6.6622    6.7784  C     
19   C         8.9664  -11.1017   10.4926  C     
20   C         7.1226  -11.9580    9.1179  C     
21   C         7.1227  -10.7820    8.3391  C     
22   C         8.0305   -9.7557    8.6601  C     
23   C         8.9398   -9.9083    9.7228  C     
24   C         8.0292  -12.1072   10.1812  C     
25   S         5.9898  -10.5210    7.0468  S     
26   O         5.2388  -11.8523    6.6134  O     
27   O         4.8726   -9.5408    7.6157  O     
28   N         6.6958   -9.7437    5.7301  N     
29   C         6.9532  -10.4049    4.5062  C     
30   H        15.2223   -9.5149   15.0793  H     
31   H        13.3332  -11.1341   15.2467  H     
32   H         9.5243  -12.0593   12.1286  H     
33   H        14.2455   -8.4938    9.0385  H     
34   H        12.5298   -8.9264    8.8794  H     
35   H        11.7991   -6.7131    8.6224  H     
36   H        15.1298   -4.5453    7.1495  H     
37   H        16.5106   -5.5861    7.5189  H     
38   H        15.4748   -6.3846    9.5751  H     
39   H        15.4274   -4.6206    9.5750  H     
40   H        13.0636   -4.6596    8.7963  H     
41   H        13.2319   -5.5341   10.3048  H     
42   H        12.8965   -7.7317    6.5676  H     
43   H        12.7417   -5.9754    6.5530  H     
44   H        14.9506   -6.4864    5.7108  H     
45   H        15.2783   -7.6014    7.0327  H     
46   H         6.4482  -12.7092    8.9349  H     
47   H         8.0292   -8.8815    8.1253  H     
48   H         9.5586   -9.1239    9.9300  H     
49   H         8.0076  -12.9706   10.7392  H     
50   H         7.1652   -8.9196    5.9236  H     
51   H         7.6726  -11.2066    4.6598  H     
52   H         7.3714   -9.6858    3.8069  H     
53   H         6.0300  -10.8070    4.0906  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   21   25 1
    28   22   23 2
    29   25   26 2
    30   25   27 2
    31   25   28 1
    32   28   29 1
    33    7   30 1
    34    9   31 1
    35   11   32 1
    36   12   33 1
    37   12   34 1
    38   13   35 1
    39   14   36 1
    40   14   37 1
    41   15   38 1
    42   15   39 1
    43   16   40 1
    44   16   41 1
    45   17   42 1
    46   17   43 1
    47   18   44 1
    48   18   45 1
    49   20   46 1
    50   22   47 1
    51   23   48 1
    52   24   49 1
    53   28   50 1
    54   29   51 1
    55   29   52 1
    56   29   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.7401
  Crash		| -0.7022
  Polar		| 4.3834
  FragIndex	| 1
  FragRMSD	| 0.704