REMARK  Name = BDB062227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178  -0.392   2.098  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.037  -0.510   1.207  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1       -1.682   0.646   0.729  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.789   0.489  -0.078  0.00  0.00    +0.166 A 
ATOM      5  O   LIG    1       -3.525   1.494  -0.623  0.00  0.00    -0.453 OA
ATOM      6  C   LIG    1       -4.520   0.740  -1.345  0.00  0.00    +0.466 C 
ATOM      7  O   LIG    1       -4.362  -0.688  -1.221  0.00  0.00    -0.453 OA
ATOM      8  C   LIG    1       -3.266  -0.754  -0.419  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -2.664  -1.911   0.027  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.539  -1.784   0.848  0.00  0.00    +0.008 A 
ENDBRANCH   1   2
BRANCH   1  15
ATOM     11  C   LIG    1        3.986  -0.418  -1.159  0.00  0.00    +0.151 C 
ATOM     12  N   LIG    1        2.978  -0.021  -0.211  0.00  0.00    -0.322 N 
ATOM     13  C   LIG    1        2.799   1.233   0.314  0.00  0.00    +0.193 A 
ATOM     14  N   LIG    1        1.818   1.245   1.181  0.00  0.00    -0.219 NA
ATOM     15  C   LIG    1        1.318  -0.041   1.208  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        2.045  -0.847   0.353  0.00  0.00    +0.112 A 
BRANCH  13  17
ATOM     17  N   LIG    1        3.553   2.288  -0.039  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1        3.855   2.365  -1.003  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        3.179   3.171   0.301  0.00  0.00    +0.145 HD
ENDBRANCH  13  17
ENDBRANCH   1  15
TORSDOF 3