@<TRIPOS>MOLECULE
BindingDB_50326679
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N       126.8359    0.8167    6.6120  N     
2    C       127.2893   -0.3916    6.1776  C     
3    N       127.9194   -0.4860    4.9759  N     
4    C       128.0911    0.5968    4.1673  C     
5    C       127.5897    1.8474    4.5770  C     
6    N       127.7120    3.0044    3.8651  N     
7    C       127.2782    4.1869    4.2958  C     
8    C       126.6212    4.2393    5.5125  C     
9    N       126.4961    3.1431    6.2354  N     
10   C       126.9676    1.9283    5.8438  C     
11   C       127.6570    5.4016    3.5377  C     
12   C       133.0032    5.6221    7.2146  C     
13   C       132.0047    5.5697    6.2287  C     
14   C       131.7497    4.3842    5.4758  C     
15   C       130.8132    4.3378    4.4531  C     
16   C       129.9793    5.4561    4.2114  C     
17   C       130.1636    6.6269    4.9771  C     
18   C       131.1782    6.6969    5.9306  C     
19   O       132.8896    6.4227    8.1519  O     
20   C       135.1255    4.7452    8.1559  C     
21   C       135.5765    3.2558    8.1798  C     
22   C       136.4000    2.8955    9.3701  C     
23   C       137.8111    2.7817    9.3155  C     
24   C       138.5387    2.4423   10.4738  C     
25   C       137.8783    2.1901   11.6947  C     
26   C       136.4702    2.2932   11.7471  C     
27   C       135.7415    2.6383   10.5972  C     
28   S       138.8205    1.7952   13.1007  S     
29   O       140.1410    2.8506   13.1633  O     
30   O       137.9359    1.8778   14.5512  O     
31   N       129.0474    5.3599    3.2596  N     
32   N       134.1251    4.9054    7.1455  N     
33   N       128.7486    0.4326    3.0011  N     
34   N       127.1596   -1.4714    6.9627  N     
35   O       139.4302    0.2308   12.9110  O     
36   H       126.2506    5.0852    5.8427  H     
37   H       127.4186    6.3314    4.0695  H     
38   H       127.0983    5.4041    2.6080  H     
39   H       132.2829    3.5427    5.6548  H     
40   H       130.7078    3.5011    3.8762  H     
41   H       129.6516    7.4818    4.7218  H     
42   H       131.3632    7.6007    6.3856  H     
43   H       134.7691    5.0615    9.1324  H     
44   H       135.9973    5.3671    7.8955  H     
45   H       134.7011    2.5981    8.1880  H     
46   H       136.1184    3.0582    7.2474  H     
47   H       138.3179    2.9707    8.4519  H     
48   H       139.5610    2.3991   10.4193  H     
49   H       135.9594    2.1276   12.6097  H     
50   H       134.7277    2.7038   10.6517  H     
51   H       129.3161    4.8339    2.4364  H     
52   H       134.2872    4.4379    6.3200  H     
53   H       129.0665   -0.4455    2.7411  H     
54   H       128.8990    1.1895    2.4138  H     
55   H       127.4991   -2.3288    6.6697  H     
56   H       126.7944   -1.3813    7.8631  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 2
     3    3    4 1
     4    4    5 2
     5    5    6 1
     6    6    7 2
     7    7    8 1
     8    8    9 2
     9    9   10 1
    10    1   10 2
    11    5   10 1
    12    7   11 1
    13   12   13 1
    14   13   14 1
    15   14   15 2
    16   15   16 1
    17   16   17 2
    18   17   18 1
    19   13   18 2
    20   12   19 2
    21   20   21 1
    22   21   22 1
    23   22   23 1
    24   23   24 2
    25   24   25 1
    26   25   26 2
    27   26   27 1
    28   22   27 2
    29   28   29 2
    30   28   30 2
    31   25   28 1
    32   11   31 1
    33   16   31 1
    34   12   32 am
    35   20   32 1
    36   28   35 1
    37    4   33 1
    38    2   34 1
    39    8   36 1
    40   11   37 1
    41   11   38 1
    42   14   39 1
    43   15   40 1
    44   17   41 1
    45   18   42 1
    46   20   43 1
    47   20   44 1
    48   21   45 1
    49   21   46 1
    50   23   47 1
    51   24   48 1
    52   26   49 1
    53   27   50 1
    54   31   51 1
    55   32   52 1
    56   33   53 1
    57   33   54 1
    58   34   55 1
    59   34   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3674
  Crash		| -1.6658
  Polar		| 2.6157
  FragIndex	| 1
  FragRMSD	| 0.597