REMARK  Name = BDB063862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.323   0.930   3.799  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.147   0.480   2.685  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.154   0.103   1.656  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.468   0.236   1.872  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.506  -0.389   0.543  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.242  -0.320   0.842  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.024   0.186   2.067  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.919   0.285   2.506  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.553  -0.116   0.942  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.435   0.056  -0.446  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.528  -0.270  -1.269  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.731  -0.748  -0.746  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.718  -1.025  -1.678  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.266  -0.762  -2.882  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.845  -0.901   0.648  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.663  -0.172  -2.985  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.761  -0.580   1.476  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.737  -0.726  -0.006  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.363  -0.978  -0.917  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.115  -0.240  -0.027  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -2.111   1.165  -0.656  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.464   1.798  -0.982  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.495   1.677   0.137  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.704   0.813  -0.218  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.435  -0.516  -0.925  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.406  -1.428  -0.261  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.968  -1.276  -0.780  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3