REMARK  Name = BDB049361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.974   0.018  -0.327  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.012   1.037  -0.390  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.685   0.738  -0.045  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.590   1.558  -0.031  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.424   0.810   0.360  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -0.006  -0.482   0.609  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.348  -0.550   0.354  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.289  -1.585   0.427  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.609  -1.273   0.077  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        6.540   0.260   0.093  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        5.348   0.300  -0.679  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        5.772   0.684  -1.932  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1        5.104   0.928  -3.225  0.00  0.00    +0.090 C 
ATOM     14  O   LIG    1        7.120   0.863  -1.912  0.00  0.00    -0.359 OA
ATOM     15  N   LIG    1        7.606   0.597  -0.646  0.00  0.00    -0.082 NA
BRANCH  10  17
ATOM     16  C   LIG    1        7.230  -1.479   1.759  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        6.712  -0.066   1.536  0.00  0.00    +0.056 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  C   LIG    1       -0.813  -1.586   1.101  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.355  -2.495  -0.016  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.549  -1.969  -0.700  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1       -3.747  -1.980   0.174  0.00  0.00    +0.112 C 
ATOM     22  C   LIG    1       -5.052  -2.005  -0.636  0.00  0.00    +0.175 C 
ATOM     23  O   LIG    1       -5.191  -3.205  -1.407  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -3.936  -3.746  -1.841  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -2.829  -2.687  -1.965  0.00  0.00    +0.112 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
BRANCH   5  26
ATOM     26  C   LIG    1       -1.840   1.270   0.505  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.991   2.784   0.334  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.431   3.207   0.502  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -4.324   3.124  -0.575  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.662   3.487  -0.414  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.120   3.932   0.825  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.240   4.015   1.903  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.902   3.652   1.744  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8