REMARK  Name = BDB063964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.302   0.065  -3.301  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.039  -0.025  -2.118  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.967  -0.229  -0.971  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.293  -0.303  -1.140  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.240  -0.301   0.199  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.005  -0.150  -0.175  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -0.166   0.025  -1.502  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.057   0.106  -1.975  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.305  -0.489  -0.087  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.551   0.140  -0.249  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.543  -0.052   0.731  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.330  -0.859   1.850  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.398  -0.954   2.728  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.398  -0.232   2.277  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.083  -1.497   1.992  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.139   0.595   0.802  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.089  -1.311   1.022  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.038  -0.168   0.694  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.708  -0.151   1.656  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.305   0.532   0.490  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.240  -0.211  -0.493  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.675   0.259  -0.367  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -5.651  -0.591   0.173  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -6.973  -0.162   0.299  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.335   1.119  -0.113  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.375   1.974  -0.652  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.053   1.548  -0.778  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1       -2.810  -0.012  -1.851  0.00  0.00    -0.386 OA
ATOM     29  H   LIG    1       -3.579  -0.220  -2.416  0.00  0.00    +0.210 HD
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6