REMARK  Name = BDB031047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.124  -0.805   0.690  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.186  -0.378  -0.028  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.061   0.446   0.574  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.903   0.866   1.889  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.812   0.406   2.622  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.095  -0.452   2.014  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.291  -0.536  -0.108  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -2.968  -0.491   0.167  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -2.119  -1.535  -0.219  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.563  -2.649  -0.924  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.578  -3.466  -1.226  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.457  -2.873  -0.706  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.951  -2.723  -1.210  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.757  -1.704  -0.030  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.772  -1.729  -0.824  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -4.666   1.755   1.007  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.309   0.559   0.263  0.00  0.00    -0.011 C 
ATOM     18  C   LIG    1       -5.973   1.124  -1.011  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.396  -0.019   1.194  0.00  0.00    +0.015 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        3.130   0.868  -0.215  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.960   0.438  -1.125  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.447   0.493   0.290  0.00  0.00    +0.093 C 
ATOM     23  C   LIG    1        5.546   0.996  -0.628  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1        5.354   2.138  -1.613  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        6.155   2.363  -0.367  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        6.447  -0.160  -0.987  0.00  0.00    +0.089 C 
ATOM     27  N   LIG    1        6.141  -1.180   0.028  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1        6.638  -0.928   0.882  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.694  -1.030   0.269  0.00  0.00    +0.103 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4