REMARK  Name = BDB050924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.149  -1.031   0.143  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.736   0.264   0.342  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -3.041   0.342   0.903  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.644   1.602   1.105  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.993   2.787   0.773  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.718   2.734   0.235  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.715  -0.843   1.254  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -3.135  -2.090   1.064  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -1.101   1.497   0.024  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.861  -2.180   0.510  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        0.654  -3.395  -0.278  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        0.936  -2.247  -0.614  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1        0.140  -1.126  -0.444  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        0.560  -0.254  -0.728  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1        2.247  -1.980  -1.351  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.901  -0.650  -1.050  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        2.997   0.337  -2.041  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.570   1.576  -1.748  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.053   1.837  -0.467  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.968   0.859   0.522  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.397  -0.380   0.233  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  O   LIG    1       -4.973  -0.769   1.796  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -5.285  -1.668   1.988  0.00  0.00    +0.292 HD
ENDBRANCH   7  22
TORSDOF 4