REMARK  Name = BDB018684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.204  -0.574  -0.587  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.434   0.313   0.185  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.929   0.475  -0.067  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -1.676   1.368   0.706  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.204   2.006   1.336  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.037   1.512   0.620  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -3.788   0.426  -0.154  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -5.215   0.876  -0.509  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -6.124   0.244   0.498  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.288  -0.434   1.515  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -2.996   0.061  -1.415  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -4.015  -0.787   0.762  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -3.595   2.418   1.234  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.552  -0.222  -1.104  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.797  -1.096  -1.888  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.565  -1.275  -1.624  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  23
ATOM     17  C   LIG    1        8.261   1.474   0.456  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        7.015   0.673   0.314  0.00  0.00    +0.076 A 
ATOM     19  S   LIG    1        7.069  -1.033   0.486  0.00  0.00    -0.072 S 
ATOM     20  C   LIG    1        5.375  -1.117   0.195  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.886   0.173  -0.013  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        3.510   0.345  -0.272  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.640  -0.760  -0.320  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        3.174  -2.038  -0.105  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.536  -2.240   0.153  0.00  0.00    +0.018 A 
ATOM     26  N   LIG    1        5.831   1.184   0.058  0.00  0.00    -0.244 NA
ENDBRANCH   1  23
BRANCH   9  27
ATOM     27  C   LIG    1       -7.374   0.666   0.729  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -8.457   1.024   0.924  0.00  0.00    -0.174 NA
ENDBRANCH   9  27
TORSDOF 2