REMARK  Name = BDB023666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.100  -0.739   1.296  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.681  -0.763   0.830  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -4.374   0.652   0.307  0.00  0.00    +0.070 C 
ATOM      4  C   LIG    1       -3.637   1.445   1.392  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.198   2.209   2.173  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.292   1.201   1.518  0.00  0.00    -0.283 N 
ATOM      7  H   LIG    1       -1.835   1.622   2.319  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.541   0.509   0.563  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.113   0.159  -0.658  0.00  0.00    +0.063 A 
ATOM     10  N   LIG    1       -1.444  -0.513  -1.619  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1       -0.155  -0.838  -1.349  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1        0.519  -0.513  -0.169  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.211   0.181   0.804  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -3.513   0.622  -0.961  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -5.763   1.229   0.022  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.643   0.628   1.107  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.915  -0.888   0.048  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        2.933  -0.354  -0.779  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.997   0.552  -1.864  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1        4.238   0.744  -2.312  0.00  0.00    -0.178 NA
ATOM     21  N   LIG    1        4.986  -0.051  -1.520  0.00  0.00    -0.261 N 
ATOM     22  C   LIG    1        4.261  -0.724  -0.564  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        4.641  -1.607   0.457  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.632  -2.123   1.273  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        2.297  -1.772   1.075  0.00  0.00    +0.009 A 
BRANCH  21  26
ATOM     26  C   LIG    1        6.418  -0.096  -1.725  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.115   1.094  -1.085  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  O   LIG    1        8.528   0.929  -1.178  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1        8.932   1.746  -0.835  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  12  17
BRANCH   1  31
ATOM     30  N   LIG    1       -7.065  -2.419   2.870  0.00  0.00    -0.174 NA
ATOM     31  C   LIG    1       -6.623  -1.639   2.139  0.00  0.00    +0.169 C 
ENDBRANCH   1  31
TORSDOF 5