REMARK  Name = BDB065329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.541  -2.235  -1.942  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        0.016  -1.765  -3.191  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.135  -3.545  -1.809  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.730  -1.050  -1.370  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.375  -1.274  -0.150  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.313  -0.347   0.329  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.602   0.808  -0.437  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -4.542   1.732   0.046  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.187   1.522   1.266  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.902   0.386   2.018  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.947   1.007  -1.665  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.971  -0.544   1.553  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.014   0.081  -2.134  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1        0.646  -2.114  -0.783  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1        0.924  -2.979  -0.313  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.638  -1.042  -0.872  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1        2.587  -2.154   1.044  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1        2.591  -1.166   0.306  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.567  -0.063   0.555  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        4.332  -0.106   1.729  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.257   0.902   2.007  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.426   1.958   1.113  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.672   2.006  -0.059  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.744   0.999  -0.341  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5