REMARK  Name = BDB045906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.455  -1.543   1.293  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.606  -0.547   0.600  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.542   0.216   0.147  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.695   0.636  -0.758  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -2.796   0.001   0.173  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.716   0.958  -0.122  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.106  -0.523   0.321  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -5.237   0.297   0.005  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -6.537  -0.260   0.144  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -7.678   0.505  -0.151  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -7.569   1.823  -0.586  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.314   2.394  -0.730  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.694  -1.582   0.578  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.588  -2.370   0.873  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.169   1.645  -0.440  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.306  -1.845   0.742  0.00  0.00    +0.024 A 
ENDBRANCH   5   7
BRANCH   3  17
ATOM     17  C   LIG    1        0.834  -0.197   0.425  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1        1.240  -1.377  -0.472  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.740  -1.362  -0.748  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.121  -0.159  -1.488  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.418   1.062  -1.099  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        1.796   0.991   0.293  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.565  -0.013  -1.704  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.413   0.224  -0.471  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        5.667   1.524  -0.007  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.448   1.735   1.131  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.990   0.650   1.817  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.756  -0.646   1.363  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.975  -0.857   0.225  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
TORSDOF 4