REMARK  Name = BDB016243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446  -0.453   1.573  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        0.164  -0.173   0.350  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.520   0.229   0.246  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1        1.970   0.465  -1.053  0.00  0.00    -0.339 N 
ATOM      5  H   LIG    1        1.427  -0.036  -1.752  0.00  0.00    +0.146 HD
ATOM      6  C   LIG    1        3.374   0.569  -1.414  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        4.030   1.735  -0.714  0.00  0.00    +0.118 C 
ATOM      8  C   LIG    1        4.432   1.433   0.692  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1        3.556   0.897   1.575  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        3.958   0.867   2.503  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        5.561   1.729   1.096  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.100  -0.769  -1.299  0.00  0.00    +0.028 C 
ATOM     13  C   LIG    1        2.233   0.435   1.442  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        1.609   0.147   2.673  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        0.287  -0.287   2.738  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  16
ATOM     16  O   LIG    1       -1.740  -0.851   1.758  0.00  0.00    -0.484 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -3.432  -2.448   1.270  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -2.424  -1.473   0.659  0.00  0.00    +0.200 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.154  -0.468  -0.217  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1       -3.647   0.738   0.303  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.324   1.642  -0.518  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.522   1.349  -1.865  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.047   0.151  -2.394  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.369  -0.754  -1.575  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3