REMARK  Name = BDB063843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.760  -2.066  -3.719  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.589  -1.317  -2.779  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.561  -0.871  -1.744  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.831  -1.294  -1.742  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.937   0.006  -0.882  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.282   0.090  -1.323  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.543  -0.665  -2.413  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.399  -0.712  -2.934  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.888  -0.919  -0.787  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.627  -0.688   0.573  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -4.684  -0.373   1.452  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.981  -0.309   0.947  0.00  0.00    +0.046 A 
ATOM     13  N   LIG    1       -6.810   0.013   1.998  0.00  0.00    -0.361 N 
ATOM     14  H   LIG    1       -7.811   0.128   1.923  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -6.082   0.150   3.151  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1       -6.278  -0.547  -0.398  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -4.761  -0.083   2.843  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -5.210  -0.858  -1.249  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1        1.224   0.875  -0.740  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        0.880   1.285   0.126  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.665   0.663  -0.782  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        3.341   2.007  -0.479  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        4.868   1.973  -0.425  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.398   1.302   0.838  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.540  -0.214   0.756  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.462  -0.975  -0.008  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        3.038  -0.464   0.194  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3