REMARK  Name = BDB020988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.479   3.648  -0.501  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.839   2.363  -0.357  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.890   1.958   0.566  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.633   2.141  -0.977  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.088   0.886  -0.737  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.794   0.639  -1.374  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.170  -0.609  -0.860  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.837  -1.500  -0.057  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.990  -2.521   0.258  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.818  -2.349  -0.312  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.194  -1.306   0.403  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.913  -1.167  -1.009  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.918  -0.300  -0.484  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.085   2.989  -1.674  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.191  -0.603  -1.765  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.450  -0.342  -1.156  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.483   0.222  -1.927  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.722   0.497  -1.326  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        3.938   0.232   0.027  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        2.967  -0.326   0.772  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        2.264   0.500  -3.286  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.034   0.230  -3.883  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.772  -0.595   0.185  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        0.003  -0.319  -3.127  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  N   LIG    1        5.175   0.497   0.613  0.00  0.00    -0.311 N 
ATOM     26  C   LIG    1        5.809   1.799   0.338  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1        6.153   2.533   1.646  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1        7.011   1.782   2.517  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.744   0.369   2.494  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1        5.338   0.007   1.993  0.00  0.00    +0.134 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.323  -3.737   1.166  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.492  -3.520   2.647  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -1.274  -4.227   2.129  0.00  0.00    +0.012 C 
ENDBRANCH   9  31
TORSDOF 3