REMARK  Name = BDB064546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.034   0.661  -0.795  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.326  -0.503  -0.059  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.301  -1.160   0.631  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.982  -0.672   0.596  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.693   0.482  -0.138  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.376   0.945  -0.154  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.653   0.277   0.545  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -2.013   0.858   0.557  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -3.191   0.198   0.109  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -4.444   0.830   0.108  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -4.508   2.137   0.526  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1       -5.627   2.903   0.587  0.00  0.00    -0.452 OA
ATOM     13  C   LIG    1       -5.086   4.143   1.093  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.663   4.078   1.339  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.393   2.803   0.957  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -3.236  -1.139  -0.173  0.00  0.00    -0.489 OA
ATOM     17  C   LIG    1       -2.591  -1.526  -1.389  0.00  0.00    +0.257 C 
ATOM     18  C   LIG    1       -2.074  -2.949  -1.179  0.00  0.00    +0.201 C 
ATOM     19  O   LIG    1       -1.074  -3.001  -0.148  0.00  0.00    -0.375 OA
ATOM     20  C   LIG    1       -1.591  -3.016   1.190  0.00  0.00    +0.181 C 
ATOM     21  C   LIG    1       -1.349  -1.696   1.947  0.00  0.00    +0.150 C 
ATOM     22  C   LIG    1       -2.151   2.200   0.987  0.00  0.00    +0.063 A 
ATOM     23  N   LIG    1       -0.344  -0.858   1.237  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1        0.940  -1.310   1.270  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        2.722   1.144  -0.830  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  27
ATOM     26  C   LIG    1        4.858   2.423  -2.196  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.094   1.244  -1.439  0.00  0.00    -0.491 OA
ENDBRANCH   1  27
BRANCH   2  28
ATOM     28  O   LIG    1        5.635  -0.910  -0.075  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.985  -2.101   0.614  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
TORSDOF 2