REMARK  Name = BDB062166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.354   1.424   0.146  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -3.191   0.696   0.339  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.804  -0.247  -0.702  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -1.910  -1.351  -0.151  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.593  -0.796   0.464  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1       -0.800   0.660   0.973  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -2.234   0.927   1.424  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -5.001   1.401  -0.898  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.618  -0.763  -0.495  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1        1.913  -0.560   0.028  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.048  -0.515  -0.790  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        2.897  -0.658  -2.164  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        1.625  -0.841  -2.709  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        0.497  -0.889  -1.886  0.00  0.00    +0.005 A 
BRANCH  11  15
ATOM     15  O   LIG    1        4.219  -0.317  -0.116  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.449  -0.351  -0.839  0.00  0.00    +0.225 C 
ATOM     17  C   LIG    1        5.797   1.026  -1.378  0.00  0.00    +0.048 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     18  C   LIG    1       -5.091   1.826   2.473  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -4.828   2.298   1.248  0.00  0.00    +0.060 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  C   LIG    1       -0.318  -1.716   1.675  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1       -0.613  -1.441   2.831  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1        0.232  -2.914   1.359  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        0.466  -3.012   0.415  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 6