REMARK  Name = BDB016183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.930   0.630   1.187  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.894  -0.165   0.475  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.391  -1.094  -0.447  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.473  -0.820  -0.793  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.183  -1.727  -1.487  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.255  -2.602  -0.888  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.461  -1.840  -0.456  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.357  -0.733   0.316  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.278  -0.409   0.589  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.592  -2.244  -0.746  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.642  -0.735  -2.553  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.258  -0.007   0.817  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.634   0.987   1.746  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.697   1.786   2.387  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.352   1.598   2.118  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.357   0.223   0.626  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.662   1.359   0.150  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        1.271   1.489   0.353  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        0.526   0.485   0.981  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        1.203  -0.661   1.402  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.585  -0.792   1.217  0.00  0.00    +0.024 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.445  -1.102   0.908  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        4.739   0.086   0.456  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1        5.253   0.931   0.703  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
BRANCH  17  25
ATOM     25  C   LIG    1        3.300   2.463  -0.601  0.00  0.00    +0.141 C 
ATOM     26  N   LIG    1        2.828   3.673  -0.634  0.00  0.00    -0.289 NA
ATOM     27  H   LIG    1        3.405   4.288  -1.222  0.00  0.00    +0.188 HD
BRANCH  25  28
ATOM     28  C   LIG    1        4.493   2.259  -1.399  0.00  0.00    +0.119 C 
ATOM     29  N   LIG    1        5.457   2.173  -2.043  0.00  0.00    -0.189 NA
ENDBRANCH  25  28
ENDBRANCH  17  25
ENDBRANCH   1  19
TORSDOF 4