REMARK  Name = BDB006737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.246  -0.608  -0.159  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.681   0.530  -0.500  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.987  -0.045  -0.133  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -3.364   0.202  -0.087  0.00  0.00    +0.094 A 
ATOM      5  N   LIG    1       -4.026  -0.877   0.395  0.00  0.00    -0.173 NA
ATOM      6  N   LIG    1       -3.050  -1.788   0.639  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -1.832  -1.312   0.339  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.479  -1.727   0.361  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -0.077  -2.811   0.744  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1        4.687  -2.835   0.226  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.855  -1.655  -0.205  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        4.431  -0.503  -0.825  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        3.590   0.533  -1.179  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.414   1.490  -1.734  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        5.657   1.053  -1.722  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        3.949   2.795  -2.251  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        2.213   0.518  -0.975  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.622  -0.548  -0.393  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.668  -0.198  -1.151  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.513  -1.654  -0.007  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.526   1.778   0.348  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.167   1.727   1.708  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.035   2.899   2.457  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.263   4.135   1.858  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.100   5.577   2.780  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.622   4.209   0.515  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.753   3.038  -0.236  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -3.329  -3.127   1.187  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -4.499  -3.962   0.721  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.101  -4.386   0.383  0.00  0.00    +0.029 C 
ENDBRANCH   6  28
BRANCH   4  31
ATOM     31  C   LIG    1       -4.122   1.425  -0.481  0.00  0.00    +0.213 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.404   1.099  -1.012  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -5.653   0.271  -0.551  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH   4  31
TORSDOF 5