@<TRIPOS>MOLECULE
BindingDB_50180123
 32 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        23.5468   89.4995    0.3125  S     
2    C        24.5662   90.6501    1.2890  C     
3    C        24.4663   90.1504    2.6667  C     
4    C        23.6646   89.0791    2.8827  C     
5    C        23.0929   88.6504    1.7382  C     
6    O        22.2871   87.5869    1.5591  O     
7    C        26.0421   90.6493    0.7863  C     
8    C        23.9281   92.0634    1.2104  C     
9    O        25.0254   90.7121    3.6044  O     
10   C        23.5428   88.4054    4.1757  C     
11   C        26.2938   90.5914   -0.7759  C     
12   C        27.5395   91.3820   -1.3018  C     
13   C        28.9089   90.7215   -0.9804  C     
14   C        27.4601   91.6279   -2.8515  C     
15   H        21.7185   87.5399    2.3551  H     
16   H        26.5803   91.5248    1.1778  H     
17   H        26.5782   89.7967    1.2063  H     
18   H        24.0174   92.4826    0.2074  H     
19   H        24.3998   92.7591    1.9042  H     
20   H        22.8671   92.0224    1.4391  H     
21   H        24.5500   88.1122    4.5180  H     
22   H        22.9223   87.4890    4.1195  H     
23   H        23.0746   89.0839    4.9104  H     
24   H        26.4225   89.5353   -1.0827  H     
25   H        25.3929   90.9836   -1.2933  H     
26   H        27.5301   92.3644   -0.8297  H     
27   H        28.9714   90.4353    0.0793  H     
28   H        29.7329   91.4299   -1.1941  H     
29   H        29.0600   89.8330   -1.5861  H     
30   H        27.3244   90.6858   -3.3823  H     
31   H        28.3721   92.1235   -3.2338  H     
32   H        26.5996   92.2775   -3.0732  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 1
     4    2    7 1
     5    2    8 1
     6    3    4 1
     7    3    9 2
     8    4    5 2
     9    4   10 1
    10    5    6 1
    11    7   11 1
    12   11   12 1
    13   12   13 1
    14   12   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
    18    8   18 1
    19    8   19 1
    20    8   20 1
    21   10   21 1
    22   10   22 1
    23   10   23 1
    24   11   24 1
    25   11   25 1
    26   12   26 1
    27   13   27 1
    28   13   28 1
    29   13   29 1
    30   14   30 1
    31   14   31 1
    32   14   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1625
  Crash		| -1.2366
  Polar		| 2.0708
  FragIndex	| 1
  FragRMSD	| 0.214