REMARK  Name = BDB063867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.088  -3.188   0.247  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.122  -2.026  -0.102  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.292  -1.115  -0.212  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.531  -1.514   0.102  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.867   0.121  -0.647  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.423   0.004  -0.783  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.904  -1.226  -0.485  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.852  -1.547  -0.536  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.754  -0.698   0.047  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.744  -0.921   1.019  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.934  -0.174   0.963  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.166   0.773  -0.037  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.384   1.431   0.036  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.057   0.988   1.073  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.175   0.975  -1.015  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.299  -0.224   2.015  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.985   0.236  -0.967  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.189   1.043  -1.217  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.610   1.876  -1.305  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.501   1.340  -0.728  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -3.623   0.385  -1.197  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.080   0.334   0.246  0.00  0.00    -0.026 C 
ATOM     23  C   LIG    1       -4.522  -0.989   0.823  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -5.976  -0.485   0.635  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -5.415   0.960   0.591  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -2.815   0.988   0.746  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3