REMARK  Name = BDB059195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.066   1.402  -1.014  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.238   1.201  -0.795  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.665  -0.078  -0.661  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.809  -1.161  -0.768  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.520  -0.847  -0.990  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.966   0.421  -1.122  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.112  -0.188  -0.402  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.608  -0.815   0.759  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -4.984  -0.908   0.994  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -5.866  -0.359   0.068  0.00  0.00    +0.139 A 
ATOM     11  O   LIG    1       -7.259  -0.423   0.264  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1       -7.797  -1.024   1.393  0.00  0.00    +0.337 A 
ATOM     13  C   LIG    1       -6.846  -1.604   2.358  0.00  0.00    +0.092 A 
ATOM     14  O   LIG    1       -9.004  -1.078   1.595  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1       -5.411   0.277  -1.081  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -5.522  -1.557   2.179  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -4.037   0.364  -1.310  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.270  -2.508  -0.682  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -1.655  -3.602  -0.620  0.00  0.00    -0.191 NA
ENDBRANCH   4  18
BRANCH   1  20
ATOM     20  S   LIG    1        0.677   3.054  -1.187  0.00  0.00    -0.073 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.807   3.990  -0.707  0.00  0.00    +0.165 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -0.328   6.618  -0.731  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -0.543   5.436  -0.721  0.00  0.00    -0.094 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   5  24
ATOM     24  S   LIG    1        1.802  -2.087  -1.118  0.00  0.00    -0.027 S 
BRANCH  24  25
ATOM     25  C   LIG    1        2.253  -2.088   0.549  0.00  0.00    +0.215 A 
ATOM     26  N   LIG    1        3.531  -2.216   1.009  0.00  0.00    -0.219 N 
ATOM     27  N   LIG    1        3.520  -2.178   2.357  0.00  0.00    -0.043 NA
ATOM     28  N   LIG    1        2.247  -2.010   2.693  0.00  0.00    -0.022 NA
ATOM     29  N   LIG    1        1.446  -1.961   1.579  0.00  0.00    -0.101 NA
BRANCH  26  30
ATOM     30  C   LIG    1        4.772  -2.418   0.310  0.00  0.00    +0.163 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.717  -1.208   0.323  0.00  0.00    +0.107 C 
BRANCH  31  32
ATOM     32  N   LIG    1        5.337  -0.168  -0.654  0.00  0.00    -0.307 NA
ATOM     33  C   LIG    1        4.476   0.859  -0.048  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1        6.532   0.488  -1.200  0.00  0.00    +0.104 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 10