REMARK  Name = BDB000916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.029  -0.192   2.618  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.679   0.033   2.986  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        1.488  -0.027   4.311  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        2.723  -0.292   4.783  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        2.848  -0.388   5.786  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        3.674  -0.399   3.811  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.521   0.321   1.985  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1       -0.771   0.533   2.379  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -1.080   0.520   3.341  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.528   0.755   1.259  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -0.619   0.662   0.210  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -1.071   0.841  -1.103  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.431   1.108  -1.315  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.337   1.197  -0.243  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -2.888   1.020   1.079  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1        0.649   0.392   0.672  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.801   1.494  -0.514  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.454   0.478  -1.354  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -6.813   0.896  -1.759  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -7.927   0.267  -0.907  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -7.928  -1.166  -0.946  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -6.633  -1.722  -1.215  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -5.492  -0.842  -0.683  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  26
ATOM     24  O   LIG    1        5.753  -0.633   1.763  0.00  0.00    -0.252 OA
ATOM     25  C   LIG    1        4.848  -0.410   0.967  0.00  0.00    +0.308 C 
ATOM     26  N   LIG    1        3.529  -0.193   1.328  0.00  0.00    -0.266 N 
ATOM     27  H   LIG    1        2.833  -0.011   0.611  0.00  0.00    +0.156 HD
ATOM     28  N   LIG    1        4.989  -0.341  -0.411  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        4.146  -0.154  -0.932  0.00  0.00    +0.156 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.163  -0.502  -1.174  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        6.040  -0.387  -2.566  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        7.154  -0.532  -3.397  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        8.404  -0.795  -2.844  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.537  -0.911  -1.463  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        7.421  -0.765  -0.631  0.00  0.00    +0.023 A 
ENDBRANCH  28  30
ENDBRANCH   1  26
TORSDOF 5