REMARK  Name = BDB006841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109  -0.131  -1.127  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.413  -0.172  -0.656  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.075   0.509   0.383  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.393   0.038   0.491  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -4.273   0.544   1.443  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.828   1.554   2.292  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.522   2.039   2.173  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -1.992   3.300   3.221  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.672  -1.062  -0.509  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1       -3.777  -2.418   0.199  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -4.926  -0.795  -1.346  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -1.637   1.525   1.217  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.399  -0.991  -1.380  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1        0.174  -0.691  -2.193  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.954   0.591  -0.285  0.00  0.00    +0.181 C 
BRANCH  15  22
ATOM     16  C   LIG    1        5.735   1.734   0.379  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        4.779   0.799  -0.361  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1        5.107  -0.597  -0.004  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        4.997  -0.708   1.003  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        4.147  -1.493  -0.673  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        2.676  -1.154  -0.345  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.341   0.246  -0.674  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        3.304   1.159  -0.028  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 2