REMARK  Name = BDB001642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.026  -3.662  -0.196  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.080  -2.193   0.012  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.214  -1.393   0.233  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -2.626  -1.700   0.331  0.00  0.00    +0.167 C 
ATOM      5  C   LIG    1       -3.534  -0.530   0.707  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -3.042   0.847   0.176  0.00  0.00    -0.022 C 
ATOM      7  C   LIG    1       -1.555   1.115   0.567  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -3.919   1.955   0.788  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1       -3.208   0.904  -1.359  0.00  0.00    +0.011 C 
ATOM     10  O   LIG    1       -3.062  -2.838   0.184  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -0.733  -0.108   0.348  0.00  0.00    +0.059 A 
ATOM     12  N   LIG    1        0.645  -0.177   0.239  0.00  0.00    -0.199 N 
ATOM     13  C   LIG    1        1.603   0.856   0.384  0.00  0.00    +0.279 C 
ATOM     14  O   LIG    1        1.187   1.958   0.748  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1        1.042  -1.463   0.007  0.00  0.00    -0.168 NA
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1        3.070   0.713   0.157  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.936   1.530   0.900  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.317   1.453   0.710  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.842   0.568  -0.230  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.987  -0.235  -0.984  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.604  -0.160  -0.797  0.00  0.00    +0.013 A 
ENDBRANCH  13  16
TORSDOF 1