REMARK  Name = BDB017122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.821  -0.428   2.051  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.381  -0.583   0.913  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.262  -0.949  -0.290  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.756  -1.016   0.094  0.00  0.00    +0.095 C 
ATOM      5  N   LIG    1       -3.378   0.306   0.223  0.00  0.00    -0.301 NA
ATOM      6  C   LIG    1       -3.246   1.123  -0.978  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -1.771   1.315  -1.320  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -1.066  -0.025  -1.502  0.00  0.00    +0.014 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -4.736   0.267   0.767  0.00  0.00    +0.088 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.760  -0.362  -0.133  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -6.543   0.459  -1.129  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -7.225  -0.077   0.097  0.00  0.00    +0.005 C 
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1        1.095  -0.465   0.732  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        1.797  -1.237  -0.198  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.184  -1.094  -0.321  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.898  -0.189   0.482  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        3.179   0.567   1.423  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        1.794   0.427   1.552  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.356  -0.041   0.346  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        5.939   1.219   0.127  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        7.323   1.360  -0.004  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        8.149   0.243   0.084  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.593  -1.015   0.302  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.208  -1.155   0.431  0.00  0.00    +0.008 A 
ENDBRANCH  16  19
ENDBRANCH   2  13
TORSDOF 5