REMARK  Name = BDB061989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012  -0.795   1.256  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -0.143  -0.841   0.158  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.085  -0.168   0.190  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.462   0.541   1.325  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.607   0.572   2.426  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.632  -0.078   2.395  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.530  -3.794  -0.291  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -3.748  -2.851   0.412  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -4.244  -2.281   1.633  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.285  -1.433   2.108  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -2.256  -1.488   1.198  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -5.464  -2.524   2.251  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -6.224  -3.462   1.524  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -2.534  -2.326   0.159  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -5.781  -4.076   0.313  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -2.911  -4.100  -2.065  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -2.588  -4.558  -2.899  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -2.308  -3.431  -1.591  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -4.118  -4.455  -1.540  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -4.830  -5.291  -2.082  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  O   LIG    1        2.647   1.203   1.488  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.285   1.645   0.279  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.445   2.552   0.688  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.279   3.094  -0.478  0.00  0.00    +0.013 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.553   4.113  -1.356  0.00  0.00    +0.098 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.744   3.495  -2.474  0.00  0.00    +0.235 C 
ATOM     27  N   LIG    1        3.038   4.415  -3.207  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1        3.213   5.413  -3.191  0.00  0.00    +0.182 HD
ATOM     29  O   LIG    1        3.703   2.293  -2.730  0.00  0.00    -0.274 OA
BRANCH  27  30
ATOM     30  O   LIG    1        2.349   3.906  -4.328  0.00  0.00    -0.295 OA
ATOM     31  H   LIG    1        2.489   2.939  -4.236  0.00  0.00    +0.241 HD
ENDBRANCH  27  30
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 9