REMARK  Name = BDB032172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.380  -1.659  -0.512  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -4.118  -0.599  -0.016  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -5.499  -0.162  -0.370  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -5.678   1.034   0.446  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -4.594   1.257   1.283  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -4.459   2.123   2.126  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.591   0.236   0.965  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.329   0.063   1.498  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.566  -1.009   1.019  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -2.094  -1.855   0.009  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.962   1.706   0.637  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.986   0.768   1.301  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.726   0.037   2.254  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -9.238   0.748   0.741  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -9.893   0.144   1.221  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.456   0.799  -0.609  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.447   0.274  -1.109  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.366   1.415  -1.451  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.499   2.359  -0.637  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -3.267  -3.533  -1.965  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.989  -2.409  -1.475  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1       -0.169  -1.239   1.540  0.00  0.00    +0.269 C 
BRANCH  22  23
ATOM     23  O   LIG    1        0.735  -0.579   0.652  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.044  -0.770   0.964  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1        2.796  -0.078   0.058  0.00  0.00    -0.251 N 
ATOM     26  H   LIG    1        2.245   0.423  -0.624  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        2.426  -1.453   1.901  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.194   0.020  -0.024  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1        4.725   0.804  -1.050  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        6.111   0.952  -1.201  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        7.010   0.321  -0.329  0.00  0.00    -0.042 A 
ATOM     32  C   LIG    1        6.456  -0.464   0.699  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1        5.071  -0.614   0.851  0.00  0.00    +0.024 A 
BRANCH  31  34
ATOM     34  C   LIG    1        8.537   0.460  -0.460  0.00  0.00    -0.013 C 
ATOM     35  C   LIG    1        9.114   1.082   0.830  0.00  0.00    +0.015 C 
ATOM     36  C   LIG    1        8.983   1.354  -1.638  0.00  0.00    +0.015 C 
ATOM     37  C   LIG    1        9.168  -0.932  -0.679  0.00  0.00    +0.015 C 
ENDBRANCH  31  34
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 7