REMARK  Name = BDB015956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.576   1.933  -0.118  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.327   0.993   0.208  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.629   1.351   0.167  0.00  0.00    +0.226 A 
ATOM      4  C   LIG    1       -2.075   2.613  -0.196  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.058   3.494  -0.508  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.259   3.191  -0.474  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.757  -0.158   0.142  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.405   0.220   0.117  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.003   1.556  -0.094  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.020   2.509  -0.282  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.370   2.150  -0.257  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.736   0.822  -0.046  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.131  -4.276   1.579  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.181  -3.358   0.998  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.100  -3.841   0.360  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.456  -2.740  -0.037  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.117  -1.550   0.347  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.237  -1.994   1.019  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.472   3.001  -0.267  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -3.954   4.278  -0.055  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.309   4.210  -0.214  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.257   5.290  -0.084  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.750   2.980  -0.523  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.635   2.243  -0.548  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  O   LIG    1       -2.573   0.404   0.515  0.00  0.00    -0.473 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.053  -0.861   0.943  0.00  0.00    +0.262 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.695  -1.760  -0.243  0.00  0.00    +0.156 C 
ATOM     28  O   LIG    1       -2.889  -2.190  -0.934  0.00  0.00    -0.373 OA
ATOM     29  C   LIG    1       -2.726  -3.566  -1.309  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -1.298  -3.949  -0.982  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1       -0.987  -3.036   0.177  0.00  0.00    +0.037 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6