REMARK  Name = BDB006103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.223  -0.229  -0.931  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        0.963  -0.641  -1.628  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.263  -0.344  -0.745  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1       -0.457   1.096  -0.480  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.826   1.828  -0.510  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1        2.049   0.996  -0.084  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        3.579  -0.226  -1.968  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1        3.611  -1.489  -2.672  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        3.571   1.036  -2.678  0.00  0.00    -0.153 OA
BRANCH   7  13
ATOM     10  C   LIG    1        7.076  -0.267   0.977  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.881   0.829   0.129  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.829   0.845  -0.790  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.936  -0.227  -0.825  0.00  0.00    +0.106 A 
ATOM     14  C   LIG    1        5.086  -1.307   0.047  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        6.143  -1.310   0.960  0.00  0.00    +0.024 A 
BRANCH  10  16
ATOM     16  N   LIG    1        8.056  -0.218   1.974  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1        8.340  -1.131   2.317  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        8.854   0.364   1.738  0.00  0.00    +0.142 HD
ENDBRANCH  10  16
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.211   1.361   0.758  0.00  0.00    +0.158 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.649   0.844   0.640  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.933  -0.424   1.102  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.196  -0.983   1.508  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.163  -1.019   1.045  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1       -5.212  -0.191   0.445  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.495  -0.696   0.338  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -6.742  -2.055   0.839  0.00  0.00    +0.273 A 
ATOM     27  N   LIG    1       -5.655  -2.713   1.377  0.00  0.00    -0.241 N 
ATOM     28  H   LIG    1       -5.810  -3.654   1.727  0.00  0.00    +0.192 HD
ATOM     29  O   LIG    1       -7.857  -2.561   0.775  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -7.496   0.090  -0.234  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1       -7.183   1.375  -0.689  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.876   1.870  -0.572  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -4.869   1.091  -0.001  0.00  0.00    +0.077 A 
ATOM     34  N   LIG    1       -4.381  -2.222   1.488  0.00  0.00    -0.153 NA
ATOM     35  N   LIG    1       -3.558   1.615   0.103  0.00  0.00    -0.232 NA
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5