REMARK  Name = BDB055575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.020  -1.594   0.665  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -0.925  -0.656   1.087  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.782   0.067   2.069  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -2.151  -0.664   0.120  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -1.711  -1.726  -0.765  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -2.268  -2.132  -1.502  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.493  -2.248  -0.426  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        0.043  -3.160  -1.033  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.241   0.696  -0.592  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.879   0.869  -1.941  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.966   2.123  -2.552  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.410   3.226  -1.828  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.764   3.080  -0.490  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.678   1.828   0.122  0.00  0.00    +0.006 A 
ENDBRANCH   4   9
BRANCH   4  15
ATOM     15  C   LIG    1       -3.478  -1.101   0.759  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -3.595  -1.449   2.115  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.821  -1.856   2.650  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.952  -1.926   1.841  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.861  -1.588   0.495  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.638  -1.181  -0.042  0.00  0.00    +0.006 A 
ENDBRANCH   4  15
BRANCH   1  21
ATOM     21  C   LIG    1        1.259  -1.859   1.292  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.432  -1.224   0.536  0.00  0.00    +0.019 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.402   0.307   0.567  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.559   0.952  -0.205  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.930   0.684   0.421  0.00  0.00    -0.000 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.309   1.157  -1.674  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.053   1.507  -0.216  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8