REMARK  Name = BDB063822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.068  -3.151   2.397  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.210  -2.050   1.904  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.808  -1.163   1.279  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.090  -1.531   1.166  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.202   0.003   0.862  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.049  -0.144   1.183  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.345  -1.317   1.786  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.234  -1.613   2.143  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.182  -0.753   0.559  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.214  -1.451  -0.092  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        5.264  -0.732  -0.641  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1        6.485  -1.213  -1.323  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        6.983   0.117  -1.890  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1        6.426   1.204  -1.113  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        5.315   0.647  -0.535  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        4.336   1.362   0.120  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.263   0.651   0.669  0.00  0.00    +0.011 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.989   0.805   0.940  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.611   1.560   0.373  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.408   0.560   0.752  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.655  -0.127  -0.602  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.024   0.192  -1.210  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -6.067   0.481  -0.141  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.680   1.683   0.723  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.168   1.885   0.845  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3