REMARK  Name = BDB016291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.819  -2.302   1.919  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.087  -0.817   1.652  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.233  -0.393   0.554  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.347  -0.896   0.531  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.034   0.982   0.314  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -1.958   2.003   0.647  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.641   3.347   0.361  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.466   3.701  -0.291  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.419   2.709  -0.681  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.219   1.850   1.263  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.716   2.701   1.495  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.972   0.768   1.579  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.068   0.960   2.115  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.153   1.356  -0.402  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.529  -0.617   1.243  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.146   0.362  -0.860  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        2.384   0.243  -0.201  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.294  -0.718  -0.661  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.022  -1.554  -1.742  0.00  0.00    -0.000 A 
ATOM     20  C   LIG    1        4.158  -2.391  -1.921  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.084  -2.052  -0.961  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        1.785  -1.430  -2.400  0.00  0.00    +0.010 A 
ATOM     23  N   LIG    1        4.553  -1.040  -0.206  0.00  0.00    -0.361 N 
ATOM     24  H   LIG    1        5.014  -0.591   0.574  0.00  0.00    +0.165 HD
ATOM     25  C   LIG    1        0.864  -0.473  -1.951  0.00  0.00    +0.009 A 
ENDBRANCH  14  16
TORSDOF 1