REMARK  Name = BDB055640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.636   0.253   0.220  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.624   0.925  -0.486  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.313   0.440  -0.385  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.975  -0.674   0.385  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.432  -0.854   0.237  0.00  0.00    +0.137 A 
ATOM      6  C   LIG    1       -0.923   0.134  -0.597  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.007  -1.339   1.083  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        0.157   0.899  -0.976  0.00  0.00    -0.355 N 
ATOM      9  H   LIG    1        0.123   1.687  -1.610  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        3.326  -0.869   0.996  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.295   0.442  -1.108  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -3.372   0.486  -0.055  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -4.356  -0.459  -0.357  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -5.469  -0.635   0.443  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.593   0.170   1.578  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -4.607   1.127   1.885  0.00  0.00    +0.001 A 
ATOM     17 BR   LIG    1       -6.793  -1.915   0.036  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1       -4.011  -1.135  -1.523  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -4.548  -1.884  -1.938  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.486   1.294   1.065  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.800  -0.688  -2.037  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -2.258  -1.107  -3.047  0.00  0.00    -0.274 OA
ENDBRANCH   6  11
BRANCH   1  23
ATOM     23  C   LIG    1        5.024   0.782   0.105  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.313   1.774  -0.547  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.247   0.463   0.744  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.892   0.017   0.812  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  27
ATOM     27  N   LIG    1       -1.270  -1.902   0.836  0.00  0.00    -0.028 NA
ATOM     28  O   LIG    1       -0.761  -2.514   1.780  0.00  0.00    -0.143 OA
ENDBRANCH   5  27
TORSDOF 4