REMARK  Name = BDB041966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.123   0.698  -0.019  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1        1.627  -0.525   0.223  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1        0.157  -0.750   0.228  0.00  0.00    +0.255 A 
ATOM      4  O   LIG    1       -0.273  -1.877   0.459  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.646   0.361  -0.033  0.00  0.00    -0.303 N 
ATOM      6  C   LIG    1       -0.099   1.609  -0.282  0.00  0.00    +0.093 A 
ATOM      7  C   LIG    1        1.226   1.797  -0.279  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.107   0.195  -0.038  0.00  0.00    +0.176 C 
ATOM      9  C   LIG    1       -2.552  -0.760  -1.158  0.00  0.00    +0.242 C 
ATOM     10  O   LIG    1       -1.992  -0.838  -2.251  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -3.715  -1.460  -0.927  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -4.013  -2.072  -1.675  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.582  -1.332   0.128  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.662  -1.917   0.136  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.184  -0.366   1.218  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -2.673  -0.232   1.318  0.00  0.00    +0.044 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  O   LIG    1        3.444   1.071  -0.058  0.00  0.00    -0.492 OA
BRANCH  17  19
ATOM     18  C   LIG    1        5.796   0.695   0.058  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.424   0.055   0.159  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3