REMARK  Name = BDB000921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.442  -3.494   0.614  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.419  -3.412  -0.362  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -1.261  -4.556  -1.042  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1       -2.191  -5.365  -0.492  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -2.276  -6.313  -0.843  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1       -2.921  -4.774   0.498  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.562  -2.141  -0.642  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1        0.416  -2.092  -1.595  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        0.666  -2.867  -2.193  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.964  -0.837  -1.579  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        0.261  -0.171  -0.580  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        0.575   1.164  -0.296  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.593   1.785  -1.034  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        2.297   1.097  -2.038  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1        1.983  -0.243  -2.329  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1       -0.683  -0.990  -0.006  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1        3.384   1.810  -2.823  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.452   2.357  -1.971  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        5.358   3.236  -2.742  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        6.316   2.481  -3.680  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1        7.085   1.505  -2.968  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        6.231   0.581  -2.282  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1        5.271   1.306  -1.325  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  28
ATOM     24  O   LIG    1       -4.569  -3.497   2.597  0.00  0.00    -0.252 OA
ATOM     25  C   LIG    1       -3.839  -2.533   2.380  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1       -4.048  -1.397   3.110  0.00  0.00    -0.296 N 
ATOM     27  H   LIG    1       -4.848  -1.499   3.722  0.00  0.00    +0.151 HD
ATOM     28  N   LIG    1       -2.830  -2.477   1.467  0.00  0.00    -0.266 N 
ATOM     29  H   LIG    1       -2.303  -1.619   1.353  0.00  0.00    +0.156 HD
BRANCH  26  30
ATOM     30  C   LIG    1       -3.399  -0.088   3.007  0.00  0.00    +0.079 C 
ATOM     31  C   LIG    1       -3.607   0.728   4.287  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1       -5.010   1.314   4.363  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1       -5.306   2.069   3.191  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.284   1.263   2.014  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1       -3.890   0.695   1.784  0.00  0.00    +0.050 C 
ENDBRANCH  26  30
ENDBRANCH   1  28
TORSDOF 5