REMARK  Name = BDB061217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.335  -0.130  -0.818  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.860  -0.318  -0.076  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.973   0.502  -0.387  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.180   0.340   0.313  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.303  -0.617   1.320  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.218  -1.421   1.644  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.862   1.480  -1.389  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -0.668   1.663  -2.087  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.011  -1.274   0.957  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.430   0.862  -1.798  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.512  -0.910  -0.564  0.00  0.00    -0.220 N 
ATOM     12  H   LIG    1        1.328  -1.899  -0.388  0.00  0.00    +0.173 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.950   0.167  -0.378  0.00  0.00    +0.218 C 
ATOM     14  S   LIG    1        2.567  -0.326   0.625  0.00  0.00    +0.040 S 
ATOM     15  O   LIG    1        2.969  -1.491   1.385  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1        2.022   0.848   1.268  0.00  0.00    -0.155 OA
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 2