REMARK  Name = BDB027915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.732   0.785  -0.328  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.645   1.665  -0.844  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.893   0.024  -0.813  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.774   0.948  -1.675  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -2.335   1.947  -2.246  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -4.096   0.593  -1.800  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.666   1.208  -2.364  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.781  -0.320  -1.039  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.000  -0.431  -1.131  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.954  -1.200  -0.135  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.723  -0.466   0.372  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        3.066  -0.978   0.360  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.930   0.402   0.242  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.667   0.990   0.010  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        1.588   2.493  -0.080  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        0.519   0.180  -0.149  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        0.675  -1.202   0.019  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        1.930  -1.774   0.256  0.00  0.00    +0.047 A 
BRANCH  12  20
ATOM     19  C   LIG    1        5.416  -0.890   0.698  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.227  -1.661   0.587  0.00  0.00    -0.495 OA
ENDBRANCH  12  20
ENDBRANCH   1  16
TORSDOF 3