REMARK  Name = BDB013678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.047   0.932  -1.383  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1       -1.048   0.435  -2.263  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.118   0.711  -0.535  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -3.424   0.291  -1.108  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -4.445  -0.040  -0.225  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -5.690  -0.468  -0.708  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -5.914  -0.549  -2.082  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.902  -0.195  -2.972  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.220   0.086   1.224  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1       -5.108  -0.251   2.003  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -2.990   0.601   1.611  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1       -2.681   0.752   3.020  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1       -3.660   0.228  -2.489  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -1.959   0.863   0.750  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        0.308   1.170  -0.878  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.005  -0.115  -0.320  0.00  0.00    +0.103 C 
BRANCH  16  20
ATOM     17  C   LIG    1        4.764   0.650   1.765  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.388   1.459   0.692  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.188   1.235   0.008  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.330   0.195   0.392  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        2.728  -0.623   1.466  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.929  -0.396   2.148  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.382   0.187   3.442  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.959   0.982   2.342  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  16  20
BRANCH  16  25
ATOM     25  N   LIG    1        1.219  -1.246  -1.262  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        1.733  -0.873  -2.571  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1        0.079  -2.148  -1.358  0.00  0.00    +0.105 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6