REMARK  Name = BDB050085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.186   0.177   0.683  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.885   0.029   0.737  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1       -0.202   1.118   1.203  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.742   2.329   1.602  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.185   3.188   1.966  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.366   2.513   1.806  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -2.144   2.453   1.555  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.173   1.224   1.337  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.879   1.425   1.118  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.149   0.181   1.017  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.350   0.517   0.369  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        4.312  -0.457   0.059  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.067  -1.782   0.414  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.881  -2.130   1.065  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.930  -1.155   1.366  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  N   LIG    1        5.482  -0.020  -0.598  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        5.533   0.972  -0.794  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        6.552  -0.790  -1.016  0.00  0.00    +0.214 C 
ATOM     19  O   LIG    1        6.674  -2.005  -0.914  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1        7.622   0.037  -1.685  0.00  0.00    +0.109 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  N   LIG    1       -2.842  -0.936   0.217  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1       -2.147  -1.640  -0.022  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  CA  LIG    1       -3.997  -0.986  -0.688  0.00  0.00    +0.097 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.530  -1.246  -0.748  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -5.312  -0.915   0.103  0.00  0.00    +0.021 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.878   0.004  -1.866  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.315   1.315  -1.524  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -4.101   1.892  -2.279  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7