REMARK  Name = BDB063896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.200   1.020  -1.357  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.419   0.841  -2.678  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.202   1.176  -3.209  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.676   0.263  -3.230  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.878  -0.025  -4.393  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.566   0.078  -2.051  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.773  -0.491  -2.157  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.947   0.589  -0.930  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.740  -0.718  -1.069  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.338  -1.024   0.240  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.321  -1.262   1.218  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.685  -1.217   0.921  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.535  -1.475   1.985  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.824  -1.707   3.064  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.078  -0.926  -0.399  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.123  -1.643   2.888  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.105  -0.685  -1.378  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.127   1.615  -0.563  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.783   1.632   0.401  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.673  -0.136   0.234  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.531   1.190  -0.557  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.376   2.309   0.070  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.840   1.897   0.197  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.996   0.587   0.963  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.150  -0.530   0.352  0.00  0.00    +0.033 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -1.585  -1.137   2.106  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -2.109   0.060   1.543  0.00  0.00    -0.378 OA
ENDBRANCH  20  27
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4