REMARK  Name = BDB003199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.153  -0.162  -0.223  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -1.263  -0.173  -1.215  0.00  0.00    +0.154 C 
ATOM      3  C   LIG    1       -2.035  -1.467  -1.025  0.00  0.00    +0.044 A 
ATOM      4  N   LIG    1       -1.958  -2.215   0.128  0.00  0.00    -0.347 N 
ATOM      5  C   LIG    1       -2.773  -3.308   0.038  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1       -3.378  -3.278  -1.199  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.087  -1.899   1.247  0.00  0.00    +0.140 C 
ATOM      8  C   LIG    1       -2.911  -2.124  -1.872  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.587  -0.463   1.155  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.130   1.076  -1.119  0.00  0.00    -0.003 A 
ATOM     11  C   LIG    1       -1.725   2.255  -1.742  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -2.413   3.422  -1.711  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -3.572   3.426  -1.023  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.073   2.320  -0.364  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.342   1.135  -0.413  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     16  S   LIG    1        1.713   0.578  -2.088  0.00  0.00    -0.018 S 
ATOM     17  C   LIG    1        1.197   0.048  -0.576  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.078  -0.310   0.439  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1        1.854  -1.197   0.867  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.375   0.173   0.724  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.228  -0.658   1.461  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        5.512  -0.229   1.811  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        5.939   1.043   1.440  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1        7.673   1.627   1.913  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        5.091   1.890   0.731  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        3.808   1.457   0.382  0.00  0.00    +0.024 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4