REMARK  Name = BDB027799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.049   3.426   0.353  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.577   3.222   0.584  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.008   1.966   0.344  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        0.366   1.855   0.576  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.926   0.592   0.319  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.182  -0.451  -0.084  0.00  0.00    -0.212 NA
ATOM      7  C   LIG    1       -1.128  -0.249  -0.271  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        1.089   2.973   1.051  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.423   4.163   1.257  0.00  0.00    +0.112 A 
ATOM     10  N   LIG    1       -1.747   0.926  -0.082  0.00  0.00    -0.225 NA
ATOM     11  N   LIG    1       -0.891   4.314   1.027  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.941  -1.394  -0.721  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -1.371  -2.659  -0.932  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -2.173  -3.707  -1.356  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1       -3.496  -3.593  -1.585  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1       -4.040  -2.377  -1.380  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -3.319  -1.271  -0.957  0.00  0.00    +0.031 A 
ENDBRANCH   7  12
BRANCH   5  18
ATOM     18  N   LIG    1        2.326   0.401   0.510  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        2.813   1.117  -0.023  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.900  -0.961   0.349  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.264  -1.072  -0.303  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        3.047  -1.549  -1.037  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        2.625  -1.905   1.496  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 3