@<TRIPOS>MOLECULE
BindingDB_50180118
 30 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S         6.2603  -20.0026   -0.0138  S     
2    C         6.0581  -20.1289    2.5633  C     
3    C         6.7017  -18.9752    2.2992  C     
4    C         6.8948  -18.7935    0.9898  C     
5    O         7.5225  -17.7537    0.4642  O     
6    O         5.7778  -20.4759    3.7057  O     
7    C         7.1410  -18.0417    3.3294  C     
8    C         5.6553  -20.9336    1.4201  C     
9    C         4.1081  -21.0136    1.3328  C     
10   C         6.2460  -22.3852    1.4360  C     
11   C         7.6194  -22.5082    0.9549  C     
12   C         8.0605  -23.4874    0.1439  C     
13   C         9.4008  -23.5537   -0.4030  C     
14   C        10.2482  -24.6621    0.2590  C     
15   H         6.8729  -17.0186    0.5014  H     
16   H         6.2748  -17.6837    3.8933  H     
17   H         7.6589  -17.1655    2.9233  H     
18   H         7.8308  -18.5411    4.0191  H     
19   H         3.6590  -20.0201    1.3604  H     
20   H         3.7049  -21.5984    2.1612  H     
21   H         3.8037  -21.4903    0.3975  H     
22   H         6.2300  -22.7506    2.4662  H     
23   H         5.5982  -23.0530    0.8566  H     
24   H         8.2840  -21.8210    1.2555  H     
25   H         7.4305  -24.2201   -0.1074  H     
26   H         9.3348  -23.7532   -1.4781  H     
27   H         9.9318  -22.5986   -0.2841  H     
28   H        10.4011  -24.4275    1.3145  H     
29   H        11.2217  -24.7230   -0.2338  H     
30   H         9.7593  -25.6357    0.1659  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    8 1
     3    2    3 1
     4    2    6 2
     5    2    8 1
     6    3    4 2
     7    3    7 1
     8    4    5 1
     9    8    9 1
    10    8   10 1
    11   10   11 1
    12   11   12 2
    13   12   13 1
    14   13   14 1
    15    5   15 1
    16    7   16 1
    17    7   17 1
    18    7   18 1
    19    9   19 1
    20    9   20 1
    21    9   21 1
    22   10   22 1
    23   10   23 1
    24   11   24 1
    25   12   25 1
    26   13   26 1
    27   13   27 1
    28   14   28 1
    29   14   29 1
    30   14   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6254
  Crash		| -1.4399
  Polar		| 2.0205
  FragIndex	| 1
  FragRMSD	| 0.595