REMARK  Name = BDB019449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.187   1.420   0.800  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -1.762   2.693   1.434  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1       -2.735   2.901   2.608  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -3.986   2.170   2.168  0.00  0.00    +0.134 C 
ATOM      5  C   LIG    1       -3.430   0.956   1.423  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.314   2.602   1.972  0.00  0.00    +0.234 C 
ATOM      7  N   LIG    1        0.641   3.075   1.095  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        0.365   3.124   0.119  0.00  0.00    +0.149 HD
ATOM      9  O   LIG    1       -0.029   2.107   3.061  0.00  0.00    -0.274 OA
BRANCH   7  10
ATOM     10  C   LIG    1        2.054   2.927   1.362  0.00  0.00    +0.139 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.584   1.636   0.794  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        2.920   1.537  -0.564  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.360   0.323  -1.099  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.474  -0.812  -0.285  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        3.147  -0.712   1.072  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.698   0.499   1.606  0.00  0.00    +0.006 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.926  -2.085  -0.838  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        5.084  -2.810  -0.589  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        6.200  -2.426   0.316  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1        5.188  -4.004  -1.290  0.00  0.00    -0.252 NA
ATOM     21  C   LIG    1        4.122  -4.169  -2.042  0.00  0.00    +0.156 A 
ATOM     22  S   LIG    1        2.946  -2.928  -1.973  0.00  0.00    -0.075 S 
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   6
BRANCH   1  23
ATOM     23  C   LIG    1       -1.802   0.964  -0.461  0.00  0.00    +0.073 C 
ATOM     24  S   LIG    1       -0.930   1.905  -1.574  0.00  0.00    -0.038 S 
BRANCH  23  25
ATOM     25  C   LIG    1       -2.121  -0.536  -0.805  0.00  0.00    +0.127 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -4.223  -0.456  -3.961  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -3.930  -0.609  -2.492  0.00  0.00    +0.210 C 
ATOM     28  N   LIG    1       -2.587  -0.611  -2.190  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1       -1.953  -0.240  -2.889  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -4.820  -0.710  -1.655  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -0.890  -1.453  -0.571  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -1.165  -2.890  -1.035  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -0.492  -1.484   0.909  0.00  0.00    +0.009 C 
ENDBRANCH  25  31
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   4  34
ATOM     34  O   LIG    1       -4.729   3.003   1.280  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -5.183   3.674   1.819  0.00  0.00    +0.210 HD
ENDBRANCH   4  34
TORSDOF 9