REMARK  Name = BDB031686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.469   1.491   0.197  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.400   1.830   1.018  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.854   1.239   0.813  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.057   0.296  -0.200  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.043  -0.033  -1.012  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.298   0.553  -0.814  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.750   2.064   0.419  0.00  0.00    -0.216 N 
ATOM      8  H   LIG    1        2.789   3.072   0.565  0.00  0.00    +0.174 HD
BRANCH   7  10
ATOM      9  O   LIG    1        3.037   0.699   2.575  0.00  0.00    -0.150 OA
ATOM     10  S   LIG    1        3.797   1.274   1.487  0.00  0.00    +0.072 S 
ATOM     11  O   LIG    1        4.876   2.205   1.746  0.00  0.00    -0.150 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.459  -0.035   0.488  0.00  0.00    +0.108 A 
ATOM     13  C   LIG    1        5.453   0.255  -0.452  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.983  -0.775  -1.229  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.526  -2.083  -1.060  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.542  -2.369  -0.111  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.008  -1.345   0.671  0.00  0.00    +0.029 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  N   LIG    1       -2.292  -0.316  -0.469  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -2.252  -1.050  -1.162  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.577  -0.145   0.067  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1       -4.649  -0.964  -0.351  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -5.888  -0.723   0.221  0.00  0.00    +0.143 A 
ATOM     23  N   LIG    1       -6.787  -1.610  -0.306  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1       -7.763  -1.639  -0.048  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1       -6.157  -2.424  -1.212  0.00  0.00    +0.085 A 
ATOM     26  N   LIG    1       -6.191   0.208   1.134  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1       -5.110   0.932   1.462  0.00  0.00    +0.225 A 
ATOM     28  C   LIG    1       -4.830  -2.048  -1.261  0.00  0.00    +0.032 A 
ATOM     29  N   LIG    1       -3.854   0.811   0.991  0.00  0.00    -0.220 NA
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 5