REMARK  Name = BDB020202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100   0.311   0.748  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1       -0.162   1.538   0.210  0.00  0.00    -0.134 NA
ATOM      3  N   LIG    1       -1.401   1.527  -0.257  0.00  0.00    -0.061 NA
ATOM      4  N   LIG    1       -1.950   0.311  -0.010  0.00  0.00    -0.220 N 
ATOM      5  C   LIG    1       -1.018  -0.482   0.622  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.280  -0.004  -0.388  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -4.063   0.966  -1.034  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.374   0.672  -1.413  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.912  -0.586  -1.151  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.141  -1.553  -0.508  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.827  -1.268  -0.125  0.00  0.00    +0.028 A 
ENDBRANCH   4   6
BRANCH   1  12
ATOM     12  C   LIG    1        1.421  -0.002   1.353  0.00  0.00    +0.071 C 
BRANCH  12  19
ATOM     13  O   LIG    1        6.237  -0.056  -1.388  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        5.157   0.172  -0.852  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        5.060   0.329   0.508  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        5.918   0.150   1.012  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        3.913   0.219   1.254  0.00  0.00    +0.223 C 
ATOM     18  O   LIG    1        3.971  -0.054   2.450  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.613   0.474   0.509  0.00  0.00    +0.082 C 
ATOM     20  C   LIG    1        2.689  -0.219  -0.854  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1        3.877   0.320  -1.637  0.00  0.00    +0.097 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 3