REMARK  Name = BDB061946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034  -0.900  -0.170  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1       -0.974  -0.139   0.274  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -1.118   0.689   0.832  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.971  -1.954  -0.790  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1       -5.683  -0.137  -0.299  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -4.550  -1.105  -0.308  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -3.371  -0.305   0.237  0.00  0.00    +0.095 C 
ATOM      8  C   LIG    1       -3.627   1.077  -0.347  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1       -5.136   1.240  -0.224  0.00  0.00    +0.117 C 
BRANCH   5  11
ATOM     10  N   LIG    1       -8.019  -0.684  -0.985  0.00  0.00    -0.174 NA
ATOM     11  C   LIG    1       -6.935  -0.437  -0.667  0.00  0.00    +0.169 C 
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1        0.327  -0.469   0.015  0.00  0.00    +0.165 A 
ATOM     13  S   LIG    1        1.460   0.611   0.693  0.00  0.00    -0.052 S 
ATOM     14  C   LIG    1        2.742  -0.327   0.028  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        2.191  -1.391  -0.667  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        0.812  -1.468  -0.671  0.00  0.00    -0.232 NA
BRANCH  14  17
ATOM     17  C   LIG    1        4.147   0.052   0.202  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        4.640   0.511   1.432  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        5.987   0.857   1.579  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.858   0.747   0.498  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.385   0.289  -0.729  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.040  -0.058  -0.876  0.00  0.00    +0.009 A 
ENDBRANCH  14  17
ENDBRANCH   2  12
TORSDOF 4