REMARK  Name = BDB031620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.006  -1.453   1.307  0.00  0.00    +0.134 C 
ATOM      2  N   LIG    1       -0.959  -0.362   0.339  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        0.178   0.443   0.222  0.00  0.00    +0.309 C 
ATOM      4  N   LIG    1        1.403  -0.201   0.229  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        2.648   0.458   0.296  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.679  -0.408  -0.072  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        5.003   0.005  -0.070  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.287   1.315   0.319  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.253   2.188   0.689  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.141  -1.729  -0.513  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        2.921   1.761   0.677  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.659  -1.608  -0.133  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1        0.057   1.656   0.038  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -2.235   0.260  -0.044  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -2.929   1.012   1.109  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.445   1.193   2.224  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -4.202   1.456   0.828  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.652   1.928   1.602  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.074   0.830  -0.025  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.288   0.957   0.103  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.461  -0.003  -1.127  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -3.226  -0.744  -0.636  0.00  0.00    +0.041 C 
ENDBRANCH   2  14
TORSDOF 1