REMARK  Name = BDB006086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.889  -1.052   0.215  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1       -1.653   0.155   0.843  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1       -0.698   0.435   1.029  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.620   1.051   1.201  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -3.987   0.627   0.886  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -5.046   1.455   1.211  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.740   2.738   1.861  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -3.405   3.003   2.087  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1       -3.177   3.884   2.537  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -5.631   3.517   2.176  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -6.348   1.054   0.914  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -6.561  -0.180   0.291  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.475  -1.006  -0.033  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.169  -0.614   0.261  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1       -2.350   2.188   1.772  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1       -3.093  -1.466  -0.082  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.683  -1.922  -0.145  0.00  0.00    +0.159 C 
BRANCH  17  23
ATOM     18  C   LIG    1        3.834   0.963  -0.070  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1        3.643  -0.394  -0.363  0.00  0.00    +0.165 A 
ATOM     20  C   LIG    1        2.430  -0.831  -0.921  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.174  -2.305  -1.148  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        0.863  -2.600  -1.898  0.00  0.00    +0.090 C 
ATOM     23  N   LIG    1       -0.256  -1.708  -1.543  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1        0.132  -0.328  -1.867  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.426   0.113  -1.222  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        1.658   1.476  -0.986  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.857   1.897  -0.412  0.00  0.00    +0.050 A 
BRANCH  18  29
ATOM     28  C   LIG    1        5.045   1.063   1.886  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        4.974   1.451   0.513  0.00  0.00    -0.491 OA
ENDBRANCH  18  29
BRANCH  19  30
ATOM     30  O   LIG    1        4.591  -1.344  -0.076  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        5.740  -1.187  -0.911  0.00  0.00    +0.277 C 
ENDBRANCH  19  30
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4