REMARK  Name = BDB064066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.800   0.097  -0.323  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1       -2.388  -0.837   0.618  0.00  0.00    +0.144 C 
ATOM      3  S   LIG    1       -3.237  -1.994   1.449  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -1.023  -0.680   0.807  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1       -0.460  -1.259   1.414  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1       -0.548   0.316   0.010  0.00  0.00    +0.096 C 
ATOM      7  C   LIG    1        0.708   0.756  -0.120  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.714   0.842  -0.759  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1       -1.674   1.734  -1.588  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.865   0.305   0.586  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.186   0.186   0.054  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        4.007  -0.256   1.093  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.378  -0.488   0.929  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.928  -0.263  -0.336  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.136   0.177  -1.394  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        3.215  -0.386   2.210  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1        3.551  -0.676   3.118  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        3.767   0.404  -1.214  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        1.920  -0.040   1.919  0.00  0.00    +0.091 A 
ENDBRANCH   7  10
BRANCH   1  21
ATOM     20  C   LIG    1       -4.655  -0.847  -1.698  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -4.139   0.338  -0.883  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -5.148   0.791   0.171  0.00  0.00    +0.028 C 
ENDBRANCH   1  21
TORSDOF 2