REMARK  Name = BDB051887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.694   0.533   0.063  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        1.593  -0.259   0.100  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        0.377   0.269   0.265  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1        0.200   1.640   0.378  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -1.122   2.075   0.532  0.00  0.00    +0.136 A 
ATOM      6  N   LIG    1       -2.136   1.202   0.595  0.00  0.00    -0.199 NA
ATOM      7  C   LIG    1       -1.875  -0.105   0.482  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        1.340   2.471   0.346  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -0.639  -0.576   0.312  0.00  0.00    -0.194 NA
ATOM     10  C   LIG    1        2.599   1.911   0.185  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.936  -1.011   0.573  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.654  -2.321  -0.041  0.00  0.00    +0.139 C 
ATOM     13  C   LIG    1       -3.837  -3.283   0.198  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -3.628  -4.598  -0.541  0.00  0.00    +0.039 C 
ATOM     15  O   LIG    1       -5.073  -2.711  -0.272  0.00  0.00    -0.371 OA
ATOM     16  C   LIG    1       -5.356  -1.487   0.431  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -6.698  -0.970  -0.068  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -4.241  -0.445   0.198  0.00  0.00    +0.139 C 
ENDBRANCH   7  11
BRANCH   1  22
ATOM     19  C   LIG    1        6.436  -1.561  -0.496  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        5.257  -2.052  -1.080  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.053  -1.341  -0.896  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        3.979  -0.173  -0.117  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.169   0.273   0.477  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.380  -0.405   0.287  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.786  -1.815  -0.157  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.577  -2.274  -0.748  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  C   LIG    1        5.264  -3.285  -1.953  0.00  0.00    +0.194 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.116  -4.100  -1.725  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1        3.913  -4.043  -0.775  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  N   LIG    1       -1.411   3.456   0.607  0.00  0.00    -0.310 N 
ATOM     31  C   LIG    1       -2.635   3.766   1.380  0.00  0.00    +0.134 C 
ATOM     32  C   LIG    1       -3.014   5.239   1.158  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1       -3.336   5.543  -0.210  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -2.766   4.614  -1.145  0.00  0.00    +0.178 C 
ATOM     35  C   LIG    1       -1.375   4.112  -0.725  0.00  0.00    +0.134 C 
ENDBRANCH   5  30
TORSDOF 6