REMARK  Name = BDB061934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.629   0.029  -0.532  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.257  -1.153   0.323  0.00  0.00    -0.055 S 
ATOM      3  C   LIG    1        1.693  -0.310  -0.026  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        3.044  -0.738   0.427  0.00  0.00    +0.152 C 
ATOM      5  N   LIG    1        4.076   0.142  -0.157  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        3.723   1.566  -0.353  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        2.464   1.750  -1.217  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1        5.388  -0.325  -0.072  0.00  0.00    +0.240 C 
ATOM      9  O   LIG    1        5.645  -1.430   0.411  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1        1.403   0.819  -0.759  0.00  0.00    +0.057 A 
ATOM     11  N   LIG    1        0.070   1.016  -1.048  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.855  -0.978  -0.217  0.00  0.00    +0.223 C 
ATOM     13  N   LIG    1       -1.992  -0.010  -0.681  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1       -2.341   0.768  -1.221  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1       -2.556  -2.000   0.389  0.00  0.00    -0.275 OA
BRANCH  12  18
ATOM     16  N   LIG    1       -6.577  -0.991   0.034  0.00  0.00    -0.269 N 
ATOM     17  C   LIG    1       -5.269  -1.703  -0.009  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1       -4.299  -0.673  -0.579  0.00  0.00    +0.095 C 
ATOM     19  C   LIG    1       -4.818   0.624   0.028  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -6.331   0.470  -0.052  0.00  0.00    +0.117 C 
BRANCH  16  22
ATOM     21  N   LIG    1       -8.725  -2.015   0.786  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -7.727  -1.545   0.436  0.00  0.00    +0.169 C 
ENDBRANCH  16  22
ENDBRANCH  12  18
ENDBRANCH   1  13
BRANCH   8  23
ATOM     23  C   LIG    1        6.493   0.595  -0.601  0.00  0.00    +0.277 C 
BRANCH  23  24
ATOM     24  N   LIG    1        7.776  -0.122  -0.713  0.00  0.00    -0.101 NA
ATOM     25  N   LIG    1        8.340  -0.392   0.365  0.00  0.00    -0.167 NA
ATOM     26  N   LIG    1        8.870  -0.610   1.349  0.00  0.00    +0.068 NA
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 5