REMARK  Name = BDB017598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.402  -0.378  -1.723  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.057  -0.275  -1.330  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        1.867  -1.418  -1.291  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.215  -1.316  -0.933  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.796  -0.077  -0.628  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        5.232  -0.034  -0.269  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        5.829   1.198  -0.016  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.539   1.924  -0.667  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        7.212   1.302   0.430  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        8.049   0.184  -0.179  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        7.411  -1.183   0.091  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.935  -1.182  -0.204  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.299  -2.497  -0.490  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.924  -3.550  -0.410  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        2.977   1.061  -0.659  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.986  -2.480  -0.862  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.570  -3.381  -1.052  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.626   0.965  -1.011  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1       -3.623  -0.064   0.094  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.313   0.242   0.723  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.317  -0.922   0.494  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.152  -1.353  -0.916  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.496  -1.606  -1.489  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.504  -0.442  -1.329  0.00  0.00    +0.120 C 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.271   0.802   1.696  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -4.617   0.867   0.445  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -4.964   1.934  -0.402  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -5.900   2.904  -0.017  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -6.511   2.836   1.234  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1       -6.195   1.785   2.093  0.00  0.00    +0.032 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -5.019  -1.723   2.158  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1       -5.045  -0.304   2.662  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.921  -0.036   3.856  0.00  0.00    -0.292 OA
ENDBRANCH  25  32
BRANCH  29  34
ATOM     34  C   LIG    1       -7.460   3.836   1.629  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1       -8.229   4.648   1.936  0.00  0.00    -0.191 NA
ENDBRANCH  29  34
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 5