REMARK  Name = BDB062222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.376  -1.800   0.413  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -0.106  -1.427   0.614  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.986  -2.424   0.779  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.919  -3.636   0.797  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        2.078  -1.633   0.914  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1        3.003  -1.976   1.107  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        1.700  -0.333   0.852  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1        0.420  -0.154   0.689  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.849   0.665  -0.140  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -3.820   1.090   0.703  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.677   0.306   0.889  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.537  -0.916   0.225  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -3.580  -1.345  -0.607  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.725  -0.559  -0.793  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.975   1.140  -1.088  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.907   1.525  -0.232  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   7  17
ATOM     17  N   LIG    1        2.583   0.691   1.002  0.00  0.00    -0.287 N 
ATOM     18  H   LIG    1        2.139   1.603   1.031  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.936   0.750   0.624  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.748   1.730   1.215  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        6.110   1.818   0.913  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.681   0.924   0.014  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.891  -0.055  -0.583  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.529  -0.142  -0.277  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 4