REMARK  Name = BDB009171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.671   0.318   1.326  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.751   0.667   0.328  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.109   1.766   0.499  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.012   2.523   1.675  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.892   2.169   2.678  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.726   1.065   2.508  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.025  -1.408   2.184  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.590  -0.847   1.185  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.927  -1.210  -0.101  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.724  -0.575  -0.859  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.914  -2.233  -0.360  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.213  -1.558  -0.670  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1        5.714  -1.342  -1.942  0.00  0.00    +0.050 A 
ATOM     14  S   LIG    1        7.225  -0.539  -1.934  0.00  0.00    -0.105 S 
ATOM     15  C   LIG    1        7.239  -0.468  -0.227  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        6.115  -1.044   0.322  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.091   2.171  -0.579  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.862   1.003  -1.187  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.076   0.475  -0.489  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.534   1.065   0.815  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.595   0.220   1.529  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.636  -0.303   0.548  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.983  -1.154  -0.542  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.724  -0.539  -1.087  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.210  -1.102  -2.361  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.767  -2.036  -2.928  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.079  -0.516  -2.861  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -1.719  -0.882  -3.736  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -1.402   0.523  -2.305  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5