REMARK  Name = BDB006855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.129  -1.478   0.979  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.110  -2.362   0.655  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        1.072  -2.230  -0.100  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.748  -3.446  -0.112  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        2.941  -3.562  -0.783  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        3.500  -2.523  -1.435  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.843  -1.331  -1.413  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.012  -4.510   0.627  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        1.619  -1.147  -0.760  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -0.139  -3.713   1.240  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.019  -1.834   1.760  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.118  -0.081   0.341  0.00  0.00    +0.181 C 
BRANCH  12  19
ATOM     13  C   LIG    1       -5.324   0.873   1.608  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -4.799   1.035   0.178  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1       -4.599   2.463  -0.162  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -4.440   2.519  -1.168  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.394   2.985   0.510  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -2.133   2.126   0.270  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -2.334   0.712   0.633  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -3.522   0.184  -0.071  0.00  0.00    +0.103 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1        3.493  -0.183  -2.161  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.736   1.052  -1.322  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        4.621   1.008  -0.234  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.839   2.143   0.547  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.179   3.333   0.248  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.302   3.391  -0.834  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.082   2.257  -1.617  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 4