REMARK  Name = BDB006638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.837  -0.414  -0.523  0.00  0.00    -0.225 N 
ATOM      2  C   LIG    1        1.472  -0.356  -0.473  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        0.344  -1.187  -0.209  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.794  -0.334  -0.358  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.379   1.072  -0.663  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.373  -2.369   0.087  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.088   0.933  -0.702  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        2.263   1.656  -0.870  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.444   3.104  -1.125  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.327   0.850  -0.737  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.139  -0.715  -0.281  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.149   0.138  -0.546  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.485  -0.225  -0.479  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.493   0.781  -0.781  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.896  -1.510  -0.136  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.069  -1.869  -0.076  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.797  -2.474   0.172  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.208  -3.858   0.563  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.518  -2.069   0.096  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   1  22
ATOM     20  C   LIG    1        5.735  -0.114   0.299  0.00  0.00    +0.068 C 
ATOM     21  C   LIG    1        5.071  -1.403  -0.095  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1        3.716  -1.530  -0.445  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1        3.246  -2.814  -0.757  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        4.101  -3.912  -0.698  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        5.413  -3.696  -0.337  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.909  -2.479  -0.042  0.00  0.00    -0.258 NA
ENDBRANCH   1  22
BRANCH   5  27
ATOM     27  C   LIG    1       -0.673   2.089   0.424  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -0.610   1.770   1.794  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.885   2.735   2.767  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.222   4.030   2.383  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -1.560   5.217   3.580  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -1.287   4.369   1.034  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -1.014   3.405   0.060  0.00  0.00    +0.007 A 
ENDBRANCH   5  27
TORSDOF 3