REMARK  Name = BDB016277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.576   1.216  -0.494  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.675   0.372  -0.170  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.308  -0.725   0.554  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.110  -1.897   0.566  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.403  -1.662   1.308  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.455  -1.024   0.463  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.168   0.044  -0.319  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -5.008   0.400  -0.762  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.623  -1.423   0.505  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.209  -2.581  -0.796  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.968   0.724  -0.588  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.134   1.886  -1.367  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.058   2.704  -1.703  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.786   2.373  -1.263  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        0.406   2.153   2.141  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        1.307   1.359   1.221  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.806   0.898  -0.066  0.00  0.00    -0.011 A 
ATOM     18  C   LIG    1        1.603   0.139  -0.967  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.877  -0.095  -0.469  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.412   0.339   0.791  0.00  0.00    +0.093 A 
ATOM     21  N   LIG    1        4.681  -0.088   0.903  0.00  0.00    -0.171 NA
ATOM     22  N   LIG    1        4.919  -0.762  -0.241  0.00  0.00    -0.273 N 
ATOM     23  C   LIG    1        6.215  -1.364  -0.443  0.00  0.00    +0.172 C 
ATOM     24  C   LIG    1        3.864  -0.796  -1.107  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        2.627   1.087   1.681  0.00  0.00    +0.034 A 
ENDBRANCH   1  17
TORSDOF 1