REMARK  Name = BDB049704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.175  -0.022   0.444  0.00  0.00    +0.183 A 
ATOM      2  C   LIG    1       -1.950  -0.907  -0.531  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -2.931  -1.762  -1.246  0.00  0.00    +0.054 C 
ATOM      4  C   LIG    1       -0.504  -0.982  -0.881  0.00  0.00    +0.269 A 
ATOM      5  O   LIG    1       -0.128  -1.732  -1.772  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1        0.242  -0.117  -0.072  0.00  0.00    -0.243 N 
ATOM      7  S   LIG    1       -0.745   0.737   1.044  0.00  0.00    +0.035 S 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        1.661   0.074  -0.128  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        2.319   0.969   0.740  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        3.706   1.159   0.690  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.474   0.459  -0.231  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.854  -0.431  -1.099  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.466  -0.619  -1.046  0.00  0.00    +0.027 A 
ENDBRANCH   6   8
BRANCH   1  15
ATOM     14  C   LIG    1       -3.743   1.552   1.231  0.00  0.00    +0.278 C 
ATOM     15  O   LIG    1       -3.434   0.188   0.961  0.00  0.00    -0.487 OA
ENDBRANCH   1  15
TORSDOF 2