REMARK  Name = BDB021091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.161   3.366  -2.135  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.237   2.894  -1.134  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.689   3.601  -0.666  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.598   1.850  -0.315  0.00  0.00    +0.303 C 
ATOM      5  N   LIG    1       -3.647   1.549   0.658  0.00  0.00    -0.275 N 
ATOM      6  C   LIG    1       -3.976   0.551   1.697  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -5.309   0.770   2.413  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -3.845  -0.864   1.119  0.00  0.00    +0.145 C 
ATOM      9  N   LIG    1       -2.590  -0.972   0.392  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -1.844   0.110  -0.030  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -0.766  -0.460  -0.679  0.00  0.00    +0.094 A 
ATOM     12  N   LIG    1       -0.836  -1.832  -0.637  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -1.950  -2.113   0.003  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -2.230   1.520   0.275  0.00  0.00    +0.165 C 
ATOM     15  O   LIG    1       -5.670   1.266  -0.427  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        0.332   0.255  -1.299  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.667   0.107  -0.836  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.696   0.840  -1.463  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        4.016   0.714  -1.004  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.294  -0.129   0.066  0.00  0.00    +0.075 A 
ATOM     21  N   LIG    1        3.333  -0.844   0.690  0.00  0.00    -0.254 NA
ATOM     22  C   LIG    1        2.388   1.688  -2.540  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        1.078   1.815  -3.000  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.064  -0.720   0.226  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        0.055   1.102  -2.383  0.00  0.00    +0.011 A 
BRANCH  20  26
ATOM     26  C   LIG    1        5.633  -0.304   0.601  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.797   0.288   0.150  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.800  -0.175   0.954  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        9.202   0.156   0.873  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.378  -1.026   1.904  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.062  -1.107   1.684  0.00  0.00    +0.144 A 
ENDBRANCH  20  26
ENDBRANCH  11  16
BRANCH  13  32
ATOM     32  C   LIG    1       -2.445  -3.564   0.257  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -1.426  -4.652   0.476  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -2.260  -4.168   1.625  0.00  0.00    +0.012 C 
ENDBRANCH  13  32
TORSDOF 3