REMARK  Name = BDB028165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -0.605   0.474  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.369   0.288   0.322  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.661  -0.072   0.725  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.881  -1.333   1.273  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.246  -1.716   1.668  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.225  -0.778   1.449  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.173  -1.027   1.712  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.043   0.466   0.930  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.485  -2.813   2.161  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        0.822  -2.231   1.438  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.837   0.824   0.592  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.465  -1.865   1.043  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -1.479  -0.495  -2.418  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.444  -0.166  -1.309  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -2.063  -0.224   0.051  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.018   0.097   1.034  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -4.314   0.478   0.686  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.679   0.546  -0.654  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.750   0.230  -1.645  0.00  0.00    +0.004 A 
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  C   LIG    1        2.662   2.231   0.027  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.567   2.153  -1.433  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        2.564   3.100  -1.812  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        3.425   1.723  -1.784  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3