REMARK  Name = BDB015360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.291  -2.457  -1.822  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.452  -2.902  -0.662  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        0.887  -4.283  -0.575  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.908  -1.880  -0.548  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.116  -2.427  -0.112  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.253  -1.617  -0.043  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.205  -0.263  -0.421  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.982   0.257  -0.878  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.839  -0.545  -0.950  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.407   0.584  -0.348  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        6.129   0.712   0.853  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.269   1.517   0.922  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        7.695   2.200  -0.209  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1        8.788   2.971  -0.142  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.004   2.093  -1.408  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.864   1.289  -1.477  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1       -0.371  -2.530   0.768  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -0.852  -1.251   1.112  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -0.580  -0.880   2.324  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.212  -1.967   2.941  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.169  -3.156   1.988  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.562  -0.520   0.200  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.600  -1.155  -0.637  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -3.989  -0.541  -0.358  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.085   0.907  -0.685  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -2.757   1.554  -0.517  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.841   0.892   0.530  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.081   1.556   0.197  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -5.527   2.906  -0.435  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.642   2.148  -1.179  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -6.515   1.043  -0.115  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5