REMARK  Name = BDB063943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.897  -0.016   0.750  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.001   0.185   2.082  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.265   0.289   2.753  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.313   0.240   2.421  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.804   0.413   3.518  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.989   0.040   1.112  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.323   0.041   0.996  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.036  -0.111   0.128  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.097  -0.130  -0.244  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.686  -0.997  -1.269  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.497  -1.134  -2.410  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.703  -0.445  -2.548  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.394  -0.681  -3.726  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.719  -1.533  -4.463  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.114   0.408  -1.507  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.242  -2.104  -3.813  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.312   0.552  -0.367  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.282  -0.117   0.087  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.136  -0.167  -0.918  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -4.042   0.285  -0.362  0.00  0.00    +0.072 C 
ATOM     21  C   LIG    1       -4.139   1.725   0.194  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -3.242   1.897   1.425  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1       -1.784   1.615   1.028  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.644   0.170   0.506  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -2.122  -0.832   1.582  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -3.579  -0.537   1.981  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -3.679   0.902   2.511  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.569   0.011  -0.731  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1       -4.482  -0.692   0.748  0.00  0.00    +0.038 C 
BRANCH  20  31
ATOM     30  C   LIG    1       -5.056  -0.984  -2.173  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -4.904   0.257  -1.502  0.00  0.00    -0.376 OA
ENDBRANCH  20  31
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4