REMARK  Name = BDB015649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.494  -1.060  -0.574  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.181  -0.070  -1.414  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.045   0.450  -1.269  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1       -0.944   0.030  -0.361  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.578  -0.973   0.469  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.657  -1.571   0.384  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.576  -1.408   1.479  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.886  -1.344   1.169  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.881  -1.732   2.055  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.267  -1.634   1.626  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.599  -2.210   3.331  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.434  -2.575   4.154  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.159  -2.263   3.691  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.224  -1.881   2.812  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1       -0.457   1.533  -2.183  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        0.439   2.491  -2.707  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.016   3.490  -3.589  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -1.358   3.556  -3.956  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.258   2.631  -3.443  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -1.812   1.636  -2.568  0.00  0.00    +0.013 A 
BRANCH  16  21
ATOM     21  C   LIG    1        1.830   2.520  -2.345  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.954   2.571  -2.058  0.00  0.00    -0.191 NA
ENDBRANCH  16  21
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  N   LIG    1        2.799  -1.549  -0.787  0.00  0.00    -0.204 N 
ATOM     24  H   LIG    1        3.167  -1.260  -1.694  0.00  0.00    +0.175 HD
BRANCH  23  25
ATOM     25  S   LIG    1        3.922  -1.305   0.444  0.00  0.00    +0.044 S 
ATOM     26  O   LIG    1        3.309  -1.632   1.714  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        5.136  -1.962   0.009  0.00  0.00    -0.155 OA
BRANCH  25  29
ATOM     28  C   LIG    1        5.233   0.903   1.385  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        4.197   0.464   0.369  0.00  0.00    +0.185 C 
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6