REMARK  Name = BDB028002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.196  -0.602   0.811  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.190  -1.424   0.273  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.164  -1.065   0.307  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.546   0.144   0.874  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.574   0.962   1.442  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.778   0.595   1.405  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.438   0.874  -1.339  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        5.211  -0.070  -0.248  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        4.551  -1.308  -0.719  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        3.007  -1.316  -0.625  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        2.530  -1.013   0.748  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        3.551  -0.413   1.632  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        4.440   0.572   0.844  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  O   LIG    1       -2.833   0.589   0.976  0.00  0.00    -0.480 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.685   0.317  -0.133  0.00  0.00    +0.259 C 
ATOM     16  C   LIG    1       -4.644  -0.855   0.127  0.00  0.00    +0.260 C 
ATOM     17  O   LIG    1       -4.394  -1.798   0.873  0.00  0.00    -0.271 OA
ATOM     18  N   LIG    1       -5.831  -0.833  -0.572  0.00  0.00    -0.253 N 
ATOM     19  H   LIG    1       -6.454  -1.609  -0.398  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -6.353   0.196  -1.314  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -7.477   0.121  -1.800  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -5.452   1.384  -1.542  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1       -4.506   1.584  -0.372  0.00  0.00    +0.063 C 
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 3