@<TRIPOS>MOLECULE
BindingDB_50326674
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O       132.4191    6.9346    8.6921  O     
2    S       132.9980    6.1490    7.4452  S     
3    O       133.7093    4.8490    8.0442  O     
4    N       127.9111   -0.5471    4.9242  N     
5    C       127.3291   -0.4352    6.1523  C     
6    N       126.8886    0.7757    6.5798  N     
7    C       128.0696    0.5246    4.1035  C     
8    C       127.5818    1.7770    4.5115  C     
9    C       126.9932    1.8772    5.7883  C     
10   N       126.5325    3.0843    6.1967  N     
11   C       126.6213    4.1688    5.4352  C     
12   C       127.2204    4.1045    4.1849  C     
13   N       127.6604    2.9175    3.7733  N     
14   N       128.6801    0.3685    2.9169  N     
15   N       127.2204   -1.4997    6.9653  N     
16   C       127.6058    5.3184    3.4461  C     
17   N       128.9994    5.3191    3.2098  N     
18   C       129.8857    5.5016    4.1904  C     
19   C       130.7846    4.4537    4.5337  C     
20   C       131.7128    4.6441    5.5708  C     
21   C       131.8044    5.9045    6.2199  C     
22   C       130.9530    6.9667    5.8143  C     
23   C       129.9784    6.7532    4.8474  C     
24   N       134.2129    7.1166    6.8097  N     
25   H       126.2493    5.0212    5.7681  H     
26   H       128.9368   -0.5068    2.6074  H     
27   H       128.8099    1.1324    2.3315  H     
28   H       126.9469   -1.3654    7.8930  H     
29   H       127.5342   -2.3679    6.6705  H     
30   H       127.0260    5.3814    2.5395  H     
31   H       127.3429    6.2042    4.0291  H     
32   H       129.3758    4.8663    2.3792  H     
33   H       130.7158    3.5467    4.0434  H     
34   H       132.3342    3.8750    5.8204  H     
35   H       131.0590    7.9037    6.2115  H     
36   H       129.3868    7.5335    4.5284  H     
37   H       134.1828    8.0792    6.9715  H     
38   H       135.0306    6.7099    6.4663  H     
@<TRIPOS>BOND
     1   12   13 2
     2   13    8 1
     3    8    7 2
     4    7   14 1
     5    7    4 1
     6    5   15 1
     7    2    1 2
     8   12   16 1
     9    4    5 2
    10   16   17 1
    11    8    9 1
    12   17   18 1
    13    3    2 2
    14   18   19 2
    15    9   10 1
    16   19   20 1
    17    5    6 1
    18   20   21 2
    19   10   11 2
    20   21   22 1
    21    6    9 2
    22   22   23 2
    23   23   18 1
    24   21    2 1
    25   11   12 1
    26    2   24 am
    27   11   25 1
    28   14   26 1
    29   14   27 1
    30   15   28 1
    31   15   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   22   35 1
    38   23   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8453
  Crash		| -0.8042
  Polar		| 1.3365
  FragIndex	| 1
  FragRMSD	| 0.468