REMARK  Name = BDB018328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.764  -4.496  -0.327  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.913  -3.049  -0.318  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.170  -2.495  -0.518  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.202  -3.131  -0.707  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.229  -1.014  -0.492  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.124  -0.268  -0.308  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -0.817  -0.921  -0.117  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.785  -2.270  -0.128  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.348   1.193  -0.267  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.261   1.885   0.948  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -2.464   3.266   0.988  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.757   3.963  -0.183  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.848   3.282  -1.396  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.645   1.902  -1.440  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.392  -0.170   0.069  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.361  -0.411   1.020  0.00  0.00    +0.118 A 
ATOM     17  N   LIG    1        2.332   0.526   0.819  0.00  0.00    -0.250 N 
ATOM     18  N   LIG    1        2.066   1.362  -0.203  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1        0.879   0.941  -0.653  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.547   0.698   1.579  0.00  0.00    +0.308 C 
BRANCH  20  21
ATOM     21  S   LIG    1        4.920  -0.256   0.987  0.00  0.00    -0.014 S 
ATOM     22  O   LIG    1        4.564  -1.663   1.044  0.00  0.00    -0.173 OA
ATOM     23  O   LIG    1        6.107   0.217   1.678  0.00  0.00    -0.173 OA
ATOM     24  C   LIG    1        5.085   0.202  -0.724  0.00  0.00    +0.196 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4