REMARK  Name = BDB062919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.925   1.295   0.014  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.412   1.081  -0.293  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.214  -0.108  -0.547  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -2.549   0.278  -0.776  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.614   1.749  -0.701  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1       -3.597   2.443  -0.841  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1       -3.573  -0.610  -1.050  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.240  -1.960  -1.109  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.912  -2.376  -0.911  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.892  -1.452  -0.637  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.241   2.213  -0.419  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.801   3.520  -0.292  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.552   3.715  -0.028  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.410   2.613   0.124  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     15  N   LIG    1        1.593  -0.621   1.323  0.00  0.00    -0.301 N 
ATOM     16  H   LIG    1        0.796  -0.397   1.909  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        1.884   0.208   0.270  0.00  0.00    +0.245 C 
ATOM     18  O   LIG    1        2.890   0.066  -0.415  0.00  0.00    -0.270 OA
BRANCH  15  19
ATOM     19  C   LIG    1        2.574  -1.554   1.868  0.00  0.00    +0.225 C 
BRANCH  19  21
ATOM     20  O   LIG    1        2.999  -3.910   1.496  0.00  0.00    -0.249 OA
ATOM     21  C   LIG    1        2.852  -2.793   1.018  0.00  0.00    +0.322 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.026  -2.554  -0.301  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        3.060  -1.589  -0.512  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   1  17
TORSDOF 4