REMARK  Name = BDB003389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.054   0.979  -1.249  0.00  0.00    -0.301 N 
ATOM      2  H   LIG    1       -1.312   1.171  -2.212  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.107   0.612  -0.434  0.00  0.00    +0.104 A 
ATOM      4  N   LIG    1       -1.959   0.559   0.930  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1       -1.065   0.828   1.318  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -2.933   0.239   1.846  0.00  0.00    +0.258 A 
ATOM      7  O   LIG    1       -2.711   0.220   3.051  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -4.270  -0.081   1.295  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.452  -0.015  -0.091  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1       -5.710  -0.307  -0.626  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -6.768  -0.661   0.218  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.575  -0.724   1.599  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.325  -0.433   2.143  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -3.325   0.357  -0.951  0.00  0.00    +0.050 A 
ENDBRANCH   1   3
BRANCH   1  18
ATOM     15  C   LIG    1        3.102   0.239  -0.858  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.193  -0.517  -0.111  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        0.815  -0.293  -0.236  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.316   0.679  -1.111  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        1.238   1.435  -1.850  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.615   1.218  -1.730  0.00  0.00    +0.017 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.575   0.045  -0.766  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        5.378   0.688  -1.423  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.873  -0.924   0.134  0.00  0.00    -0.461 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.858  -0.268   1.355  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        6.270  -1.201   0.314  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 5