REMARK  Name = BDB007313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.042   1.171  -1.249  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -3.038   0.689  -0.448  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.726  -0.587  -0.152  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -3.252  -1.362  -0.545  0.00  0.00    +0.152 HD
ATOM      5  C   LIG    1       -1.690  -0.913   0.721  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -1.452  -2.387   0.951  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -0.035  -2.675   1.430  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.325  -1.788   2.606  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1        0.145  -0.326   2.261  0.00  0.00    +0.162 C 
ATOM     10  O   LIG    1        0.843   0.532   2.800  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -0.930   0.051   1.299  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -1.134   1.542   1.020  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1       -2.302   1.768   0.094  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -2.907   2.918  -0.374  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1       -3.943   2.546  -1.199  0.00  0.00    -0.363 N 
ATOM     16  H   LIG    1       -4.547   3.190  -1.693  0.00  0.00    +0.165 HD
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        0.052   2.209   0.330  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        0.792   1.548  -0.661  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        1.955   2.127  -1.174  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1        2.335   3.414  -0.808  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.577   4.106   0.133  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        0.456   3.502   0.712  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  O   LIG    1        2.771   1.411  -2.017  0.00  0.00    -0.425 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.350   0.296  -1.559  0.00  0.00    +0.302 A 
ATOM     25  N   LIG    1        3.489  -0.029  -0.231  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        3.173   0.534   0.546  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        4.092  -1.257  -0.155  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        4.328  -1.601  -1.482  0.00  0.00    +0.093 A 
ATOM     29  C   LIG    1        4.955  -2.822  -1.769  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        5.319  -3.657  -0.704  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.067  -3.283   0.619  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.445  -2.067   0.926  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1        3.874  -0.624  -2.337  0.00  0.00    -0.195 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  35
ATOM     34  C   LIG    1       -6.319   0.166  -1.225  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -5.087   0.485  -2.058  0.00  0.00    +0.052 C 
ENDBRANCH   1  35
TORSDOF 4