REMARK  Name = BDB028292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.806   0.685   0.685  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        3.400   0.886   0.251  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        3.033   2.171  -0.134  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.726   2.440  -0.549  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.783   1.410  -0.584  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.129   0.100  -0.211  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        4.039   3.245  -0.110  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        3.756   4.393  -0.433  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        5.301   2.882   0.291  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        6.010   3.609   0.310  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        2.451  -0.145   0.206  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        5.691   1.641   0.687  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.136  -0.985  -0.258  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.133  -0.851   0.324  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -2.077  -1.890   0.262  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.684  -3.057  -0.384  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1       -0.472  -3.237  -0.958  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        0.398  -2.203  -0.885  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -3.443  -1.735   0.891  0.00  0.00    +0.176 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.243  -0.564   0.346  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -4.591  -0.501  -1.013  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.331   0.574  -1.508  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.735   1.595  -0.650  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.402   1.543   0.702  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.661   0.469   1.199  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  O   LIG    1       -4.221  -2.926   0.753  0.00  0.00    -0.382 OA
ATOM     27  H   LIG    1       -5.155  -2.657   0.732  0.00  0.00    +0.211 HD
ENDBRANCH  19  26
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1        5.270  -0.693   1.149  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.468  -1.552  -0.020  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        5.875  -2.436   0.287  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        6.179  -1.121  -0.616  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 6