REMARK  Name = BDB052538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.238  -0.191  -0.188  0.00  0.00    -0.283 N 
ATOM      2  H   LIG    1        0.166  -0.921  -0.757  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.738   0.755   0.756  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -4.439  -0.261   0.091  0.00  0.00    +0.204 A 
ATOM      5  C   LIG    1       -3.766  -1.217  -0.683  0.00  0.00    +0.167 A 
ATOM      6  C   LIG    1       -2.370  -1.167  -0.749  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -1.636  -0.172  -0.075  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -2.341   0.781   0.671  0.00  0.00    +0.073 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -3.828   2.778   2.018  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -4.497   1.654   1.463  0.00  0.00    -0.491 OA
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -5.816  -0.277   0.135  0.00  0.00    -0.488 OA
ATOM     12  C   LIG    1       -6.254  -1.056   1.246  0.00  0.00    +0.277 C 
ENDBRANCH   4  11
BRANCH   5  13
ATOM     13  O   LIG    1       -4.548  -2.155  -1.308  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.918  -3.010  -2.251  0.00  0.00    +0.277 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.792   0.586   0.333  0.00  0.00    +0.220 A 
ATOM     16  N   LIG    1        2.023   0.213  -0.049  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        3.074   0.915   0.427  0.00  0.00    +0.084 A 
ATOM     18  C   LIG    1        2.922   1.993   1.269  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        1.629   2.304   1.601  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        0.563   1.622   1.151  0.00  0.00    -0.223 NA
BRANCH  17  21
ATOM     21  C   LIG    1        4.380   0.438  -0.041  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        4.737  -0.157  -1.247  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        3.851  -0.440  -2.408  0.00  0.00    +0.067 C 
ATOM     24  N   LIG    1        6.077  -0.506  -1.361  0.00  0.00    -0.249 NA
ATOM     25  C   LIG    1        6.721  -0.198  -0.260  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        8.172  -0.444  -0.038  0.00  0.00    +0.073 C 
ATOM     27  S   LIG    1        5.776   0.533   0.966  0.00  0.00    -0.071 S 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 6