REMARK  Name = BDB049839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951   1.126  -0.364  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.990   0.409   0.373  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.348  -0.110   1.615  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.215  -0.736   2.065  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.101  -1.247   2.929  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -0.217  -0.579   1.130  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.619   0.035   2.176  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.564   0.743   1.427  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.671   0.117   0.105  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.242   1.280   0.178  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.107  -1.166   1.304  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1        2.130  -0.926   0.370  0.00  0.00    -0.293 N 
ATOM     13  C   LIG    1        1.918  -0.202  -0.893  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.223   0.210  -1.601  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.215  -0.874  -1.698  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        3.799  -1.637  -2.233  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.504  -1.356  -0.339  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.253  -1.867   0.390  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.315  -1.891   2.282  0.00  0.00    -0.267 OA
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -3.188   2.885  -2.011  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -2.841   3.321  -2.857  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.572   3.491  -1.300  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -2.610   1.684  -1.691  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -1.855   1.131  -2.478  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 2