REMARK  Name = BDB060205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.914   1.933   0.329  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   7
ATOM      2  N   LIG    1       -2.344  -0.058   1.146  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -1.291   0.003   0.202  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -1.171  -0.679  -0.998  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.036  -0.476  -1.789  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.976   0.399  -1.372  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.869   1.075  -0.153  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -0.261   0.856   0.622  0.00  0.00    -0.002 A 
ATOM      9  C   LIG    1       -0.646   1.485   1.921  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1       -1.792   0.562   2.364  0.00  0.00    +0.116 C 
BRANCH   2  13
ATOM     11  C   LIG    1       -5.575  -1.477  -0.070  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1       -4.330  -0.834  -0.040  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.579  -0.703   1.139  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.145  -1.230   2.310  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -5.386  -1.875   2.296  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.099  -2.003   1.106  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.440  -2.146  -1.385  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.168  -1.515  -1.303  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  S   LIG    1        3.099   1.213   1.327  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.460   0.348   2.298  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.029   2.235   1.760  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.006   0.148   0.212  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.627  -1.194   0.080  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        4.355  -2.040  -0.761  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        5.471  -1.540  -1.448  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.866  -0.202  -1.294  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.135   0.642  -0.453  0.00  0.00    +0.031 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.237  -2.427  -2.334  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        5.860  -3.602  -2.439  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        7.211  -1.944  -2.929  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   1  31
ATOM     31  C   LIG    1        2.364   3.008  -0.587  0.00  0.00    +0.251 C 
BRANCH  31  32
ATOM     32  C   LIG    1        2.912   4.227   0.112  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1        3.874   4.881  -0.263  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1        2.200   4.607   1.192  0.00  0.00    -0.479 OA
ATOM     35  H   LIG    1        2.716   5.347   1.576  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 9