REMARK  Name = BDB061571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059   0.617   0.802  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1        0.469   1.937   0.706  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        1.529   2.295   1.524  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        2.168   1.419   2.333  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        1.699   0.168   2.354  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        0.668  -0.270   1.625  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -1.766  -1.694  -1.587  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -3.064  -1.162  -1.540  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -3.334  -0.026  -0.767  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -2.330   0.537   0.022  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -1.025   0.021  -0.001  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.763  -1.104  -0.810  0.00  0.00    +0.059 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -0.249  -3.191  -2.656  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -1.588  -2.793  -2.389  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -4.059  -1.739  -2.293  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -4.734  -2.728  -1.517  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
BRANCH   9  17
ATOM     17  O   LIG    1       -4.571   0.558  -0.675  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -5.019   1.049  -1.940  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1       -0.123   2.851  -0.217  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -0.591   3.587  -0.983  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  S   LIG    1        2.224   3.942   1.557  0.00  0.00    -0.042 S 
BRANCH  21  22
ATOM     22  C   LIG    1        1.024   4.701   2.585  0.00  0.00    +0.141 A 
ATOM     23  S   LIG    1        1.309   6.215   3.341  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1       -0.259   6.153   4.032  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -0.893   4.995   3.637  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1       -0.159   4.168   2.807  0.00  0.00    -0.241 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  27
ATOM     27  S   LIG    1        2.534  -1.014   3.367  0.00  0.00    -0.081 S 
BRANCH  27  28
ATOM     28  C   LIG    1        4.121  -1.043   2.484  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.002  -1.536   1.059  0.00  0.00    -0.037 A 
ATOM     30  C   LIG    1        3.735  -2.887   0.790  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        3.601  -3.336  -0.525  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.729  -2.435  -1.579  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        3.546  -2.985  -3.198  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        3.995  -1.090  -1.330  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        4.134  -0.642  -0.015  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 10