REMARK  Name = BDB016146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -1.371   0.651  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -2.548  -1.155   0.206  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.702  -0.538  -1.042  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.072   0.254  -1.156  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.974  -0.434  -1.729  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.963   0.329  -0.876  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.678  -0.643   0.008  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.981  -1.502   0.796  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.603  -2.025   1.400  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.910  -0.650   0.070  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.739   0.284  -3.060  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.595  -1.677   1.001  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.287  -2.424   2.157  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.974  -2.628   2.568  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.935  -2.095   1.822  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        0.862  -0.050   0.339  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -0.056  -0.900  -0.147  0.00  0.00    +0.010 C 
BRANCH  16  20
ATOM     18  C   LIG    1        4.317   1.283  -0.369  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.190   0.783   0.291  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        2.023   0.445  -0.416  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        1.991   0.642  -1.802  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.109   1.140  -2.470  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.266   1.456  -1.757  0.00  0.00    +0.023 A 
BRANCH  18  26
ATOM     24  C   LIG    1        7.213   2.013   1.938  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        5.810   1.552   1.627  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1        5.521   1.634   0.277  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1        6.258   1.981  -0.324  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        5.075   1.141   2.518  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  16  20
ENDBRANCH   1  17
TORSDOF 3