REMARK  Name = BDB003530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.091  -1.057   0.791  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.322   0.015   1.268  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.916  -0.013   1.221  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.274  -1.131   0.691  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.036  -2.227   0.249  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.430  -2.184   0.290  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.323  -0.465  -0.240  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.558  -0.999   0.820  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -5.233  -1.492   1.953  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.626  -1.464   2.032  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.371  -0.946   0.979  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.724  -0.450  -0.153  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.607   1.951  -1.306  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.575   0.191  -1.736  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.088   1.437   1.821  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        0.254   1.187   3.207  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.965   2.548   1.480  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.389   1.721   0.899  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.188  -1.287   0.629  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        1.795  -1.386  -0.621  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        1.118  -1.155  -1.894  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.790  -1.352   1.695  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.192  -1.815  -0.679  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.155  -0.663  -0.851  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        4.628   0.031   0.275  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.489   1.089   0.077  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1        6.028   1.868   1.053  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        6.827   2.775   0.266  0.00  0.00    +0.466 C 
ATOM     29  O   LIG    1        6.739   2.533  -1.155  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1        5.893   1.469  -1.180  0.00  0.00    +0.166 A 
ATOM     31  C   LIG    1        5.459   0.812  -2.310  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        4.582  -0.265  -2.140  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6