REMARK  Name = BDB059730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.305  -0.226  -0.519  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -6.085  -0.360  -0.561  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -5.209   0.764  -0.197  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -3.846   0.682   0.103  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -3.112   1.808   0.472  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -3.745   3.054   0.534  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1       -5.067   3.166   0.250  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1       -1.808   1.474   0.734  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -1.720   0.170   0.565  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.929  -0.342   0.138  0.00  0.00    -0.325 N 
ATOM     11  C   LIG    1       -3.200  -1.718  -0.229  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -4.206  -1.843  -1.365  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -5.753   2.045  -0.090  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -5.567  -1.567  -0.953  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -6.294  -2.208  -1.252  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -0.470  -0.643   0.791  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1        0.292  -0.161   2.039  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1        1.439   0.770   1.658  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1        2.448   0.074   0.844  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        1.877  -0.868  -0.129  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1        0.413  -0.596  -0.467  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1        3.366   1.049   0.231  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.651   0.430  -0.282  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        5.438  -0.379   0.550  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.633  -0.930   0.082  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.057  -0.671  -1.219  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.289   0.139  -2.054  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.093   0.690  -1.588  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 3