REMARK  Name = BDB046208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.748   0.711   2.232  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.625  -0.402   1.912  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        3.698  -0.443   1.072  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        4.296   0.572   0.269  0.00  0.00    +0.214 C 
ATOM      5  C   LIG    1        5.436   0.104  -0.581  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.885  -1.233  -0.529  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.247  -2.244   0.374  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        5.670  -3.391   0.433  0.00  0.00    -0.285 OA
ATOM      9  C   LIG    1        6.958  -1.634  -1.337  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        7.577  -0.716  -2.187  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.131   0.606  -2.237  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.064   1.018  -1.437  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        3.947   1.744   0.264  0.00  0.00    -0.285 OA
ATOM     14  C   LIG    1        4.129  -1.747   1.143  0.00  0.00    +0.163 A 
ATOM     15  N   LIG    1        3.359  -2.438   2.031  0.00  0.00    -0.125 NA
ATOM     16  N   LIG    1        2.444  -1.600   2.511  0.00  0.00    -0.064 NA
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  C   LIG    1       -1.284   0.188  -0.031  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -0.306  -0.032   0.946  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        0.696   0.925   1.170  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        0.700   2.093   0.390  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.265   2.298  -0.600  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.256   1.343  -0.817  0.00  0.00    +0.013 A 
BRANCH  17  28
ATOM     23  C   LIG    1       -7.488   0.966  -0.268  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -6.573  -0.036   0.271  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1       -5.521   0.566   1.113  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -4.153   0.751   0.428  0.00  0.00    +0.123 C 
ATOM     27  N   LIG    1       -3.652  -0.497  -0.163  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -2.312  -0.851  -0.262  0.00  0.00    +0.247 C 
ATOM     29  O   LIG    1       -1.928  -1.983  -0.540  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1       -4.662  -1.513  -0.466  0.00  0.00    +0.123 C 
ATOM     31  C   LIG    1       -6.017  -0.875  -0.813  0.00  0.00    +0.103 C 
ENDBRANCH  17  28
ENDBRANCH   1  19
TORSDOF 3