REMARK  Name = BDB004931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.728   0.755   0.416  0.00  0.00    +0.268 C 
ATOM      2  N   LIG    1        1.678  -0.182   0.027  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        1.340  -0.972  -0.501  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.980   1.831   0.950  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  N   LIG    1       -2.764   0.526  -0.250  0.00  0.00    -0.268 N 
ATOM      6  C   LIG    1       -2.527  -0.819  -0.354  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.576  -1.827  -0.642  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.176  -0.968  -0.122  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -0.665   0.342   0.110  0.00  0.00    +0.148 A 
ATOM     10  N   LIG    1       -1.662   1.242   0.025  0.00  0.00    -0.166 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -4.732   1.421   0.934  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.028   1.226  -0.397  0.00  0.00    +0.140 C 
ENDBRANCH   5  12
ENDBRANCH   1   9
BRANCH   2  13
ATOM     13  C   LIG    1        3.076  -0.123   0.208  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        3.735   0.893   0.902  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.128   0.870   1.040  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.872  -0.169   0.488  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.225  -1.189  -0.204  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.834  -1.166  -0.341  0.00  0.00    +0.023 A 
ENDBRANCH   2  13
TORSDOF 3