@<TRIPOS>MOLECULE
BindingDB_50061313
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.3190   43.4574   14.0140  S     
2    C        27.8587   44.1785   15.5109  C     
3    C        28.0420   43.3928   16.6700  C     
4    O        27.6852   41.9123   14.0057  O     
5    O        25.7374   43.6130   13.9643  O     
6    C        28.4108   43.9814   17.9015  C     
7    N        27.9913   44.1252   12.6217  N     
8    N        28.6715   43.8918   20.3756  N     
9    C        28.6416   45.3808   17.9651  C     
10   C        28.0485   45.5725   15.5949  C     
11   C        28.4344   46.1669   16.8102  C     
12   C        28.5735   43.1264   19.1101  C     
13   C        29.5763   45.0526   20.3133  C     
14   C        29.0804   46.0402   19.2278  C     
15   C        27.5524   43.7150   11.3313  C     
16   H        27.8902   42.3833   16.6299  H     
17   H        28.3895   45.0072   12.6967  H     
18   H        27.7377   44.2338   20.6177  H     
19   H        28.9824   43.2689   21.1193  H     
20   H        27.9108   46.1679   14.7750  H     
21   H        28.5826   47.1789   16.8442  H     
22   H        27.7119   42.4619   19.2093  H     
23   H        29.4661   42.5067   18.9936  H     
24   H        29.5940   45.5467   21.2888  H     
25   H        30.5933   44.7175   20.0854  H     
26   H        29.8950   46.7360   19.0181  H     
27   H        28.2384   46.6117   19.6213  H     
28   H        27.5452   42.6287   11.2515  H     
29   H        28.2278   44.1163   10.5754  H     
30   H        26.5462   44.0852   11.1330  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    5 2
     4    1    7 1
     5    2    3 1
     6    2   10 2
     7    3    6 2
     8    6    9 1
     9    6   12 1
    10    7   15 1
    11    8   12 1
    12    8   13 1
    13    9   11 2
    14    9   14 1
    15   10   11 1
    16   13   14 1
    17    3   16 1
    18    7   17 1
    19    8   18 1
    20    8   19 1
    21   10   20 1
    22   11   21 1
    23   12   22 1
    24   12   23 1
    25   13   24 1
    26   13   25 1
    27   14   26 1
    28   14   27 1
    29   15   28 1
    30   15   29 1
    31   15   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0118
  Crash		| -1.9710
  Polar		| 2.4112
  FragIndex	| 1
  FragRMSD	| 1.085