REMARK  Name = BDB018850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.652  -1.406   1.046  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.740  -0.307   0.084  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.974   0.156  -0.388  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -2.142   0.779  -1.440  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.467   0.265  -0.343  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        0.549   1.696  -1.274  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        2.256   1.636  -1.238  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        2.682   0.547  -0.502  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1        1.641  -0.217   0.014  0.00  0.00    -0.229 NA
BRANCH   8  10
ATOM     10  C   LIG    1        4.107   0.111  -0.197  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        4.337  -1.318  -0.728  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        4.337   0.121   1.328  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1        5.157   1.036  -0.845  0.00  0.00    +0.017 C 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -3.209  -0.180   0.474  0.00  0.00    +0.170 C 
ATOM     15  N   LIG    1       -4.148   0.991   0.596  0.00  0.00    -0.258 N 
ATOM     16  C   LIG    1       -5.405   0.656  -0.109  0.00  0.00    +0.117 C 
ATOM     17  C   LIG    1       -5.478  -0.856   0.002  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -4.037  -1.284  -0.198  0.00  0.00    +0.034 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -3.762   2.236   0.902  0.00  0.00    +0.170 C 
ATOM     20  N   LIG    1       -3.426   3.303   1.200  0.00  0.00    -0.174 NA
ENDBRANCH  15  19
ENDBRANCH   3  14
TORSDOF 4