REMARK  Name = BDB060546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.824  -0.234  -1.137  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.347  -0.183  -2.600  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        1.162  -0.084  -3.527  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.977  -0.293  -2.901  0.00  0.00    -0.302 N 
ATOM      5  H   LIG    1       -1.153  -0.153  -3.897  0.00  0.00    +0.150 HD
ATOM      6  C   LIG    1       -2.145   0.011  -2.042  0.00  0.00    +0.169 C 
ATOM      7  C   LIG    1       -3.082  -1.212  -2.013  0.00  0.00    +0.101 C 
ATOM      8  S   LIG    1       -4.496  -1.063  -0.853  0.00  0.00    -0.154 S 
ATOM      9  C   LIG    1       -4.227  -2.543   0.197  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -3.651  -2.160   1.544  0.00  0.00    -0.024 A 
ATOM     11  C   LIG    1       -2.270  -2.094   1.797  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -1.782  -1.676   3.051  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.669  -1.327   4.069  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.039  -1.388   3.837  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.288  -2.481   0.766  0.00  0.00    +0.340 C 
ATOM     16  O   LIG    1       -1.243  -3.569   0.225  0.00  0.00    -0.245 OA
ATOM     17  O   LIG    1       -0.529  -1.397   0.488  0.00  0.00    -0.459 OA
ATOM     18  C   LIG    1       -4.526  -1.792   2.585  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.492  -1.593  -0.508  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   6  20
ATOM     20  C   LIG    1       -2.839   1.218  -2.722  0.00  0.00    +0.236 C 
ATOM     21  N   LIG    1       -3.532   2.149  -1.957  0.00  0.00    -0.306 N 
ATOM     22  C   LIG    1       -4.230   3.224  -2.656  0.00  0.00    +0.131 C 
ATOM     23  C   LIG    1       -3.412   2.321  -0.512  0.00  0.00    +0.131 C 
ATOM     24  O   LIG    1       -2.793   1.307  -3.958  0.00  0.00    -0.274 OA
ENDBRANCH   6  20
BRANCH   1  26
ATOM     25  C   LIG    1        2.967   0.348  -0.019  0.00  0.00    +0.234 C 
ATOM     26  N   LIG    1        2.267   0.026  -1.159  0.00  0.00    -0.300 N 
ATOM     27  H   LIG    1        2.697   0.100  -2.081  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1        2.426   0.385   1.085  0.00  0.00    -0.274 OA
BRANCH  25  32
ATOM     29  C   LIG    1        4.291   3.377   0.864  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        5.151   2.330   1.526  0.00  0.00    +0.213 C 
ATOM     31  N   LIG    1        5.148   1.075   0.963  0.00  0.00    -0.290 N 
ATOM     32  C   LIG    1        4.464   0.650  -0.258  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1        5.216  -0.621  -0.661  0.00  0.00    +0.033 C 
ATOM     34  C   LIG    1        5.623  -1.221   0.684  0.00  0.00    +0.021 C 
ATOM     35  C   LIG    1        5.951   0.003   1.527  0.00  0.00    +0.108 C 
ATOM     36  O   LIG    1        5.831   2.605   2.514  0.00  0.00    -0.276 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
TORSDOF 3