@<TRIPOS>MOLECULE
BindingDB_50339442
 32 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -5.0894    6.2648   11.3933  O     
2    C        -5.0469    6.5474   12.8130  C     
3    C        -3.6168    6.7573   13.3899  C     
4    O        -2.9455    7.8791   12.8218  O     
5    C        -2.7828    5.4597   13.2160  C     
6    O        -1.5000    5.6171   13.8217  O     
7    C        -3.5084    4.2518   13.8632  C     
8    O        -2.8565    3.0342   13.5082  O     
9    C        -5.0005    4.1760   13.4194  C     
10   O        -5.6648    5.4563   13.5337  O     
11   C        -5.7882    3.1283   14.2418  C     
12   O        -5.2584    2.9766   15.5622  O     
13   S        -5.8953    1.8799   16.6833  S     
14   N        -7.4204    2.3968   17.1451  N     
15   O        -6.0431    0.3147   16.0728  O     
16   O        -4.9154    1.8502   18.0548  O     
17   C        -5.6690    7.2593   10.5312  C     
18   H        -5.6549    7.4279   13.0318  H     
19   H        -3.7149    6.9726   14.4583  H     
20   H        -2.8243    7.6604   11.8737  H     
21   H        -2.6436    5.2623   12.1469  H     
22   H        -1.0279    6.2763   13.2659  H     
23   H        -3.4557    4.3675   14.9490  H     
24   H        -2.2797    2.8160   14.2666  H     
25   H        -5.0413    3.8592   12.3718  H     
26   H        -6.8339    3.4370   14.3097  H     
27   H        -5.7461    2.1659   13.7214  H     
28   H        -8.0847    1.7424   17.4167  H     
29   H        -7.6358    3.3430   17.1471  H     
30   H        -6.7066    7.4577   10.8085  H     
31   H        -5.6559    6.8730    9.5123  H     
32   H        -5.1036    8.1924   10.5479  H     
@<TRIPOS>BOND
     1    2    1 1
     2    1   17 1
     3    2    3 1
     4    2   10 1
     5    3    4 1
     6    3    5 1
     7    5    6 1
     8    5    7 1
     9    7    8 1
    10    7    9 1
    11    9   10 1
    12    9   11 1
    13   11   12 1
    14   12   13 1
    15   13   14 am
    16   13   15 2
    17   13   16 2
    18    2   18 1
    19    3   19 1
    20    4   20 1
    21    5   21 1
    22    6   22 1
    23    7   23 1
    24    8   24 1
    25    9   25 1
    26   11   26 1
    27   11   27 1
    28   14   28 1
    29   14   29 1
    30   17   30 1
    31   17   31 1
    32   17   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2630
  Crash		| -1.0197
  Polar		| 4.0137
  FragIndex	| 1
  FragRMSD	| 1.314