REMARK  Name = BDB001784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.892  -0.765   0.867  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1       -2.882  -1.681   1.251  0.00  0.00    +0.182 A 
ATOM      3  S   LIG    1       -3.133  -3.009   2.279  0.00  0.00    -0.011 S 
ATOM      4  N   LIG    1       -1.607  -1.497   0.781  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1       -1.299  -0.505  -0.000  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1       -2.344   0.432  -0.499  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -3.599   0.279  -0.036  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -4.733   1.174  -0.498  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1        0.044  -0.361  -0.363  0.00  0.00    -0.312 N 
ATOM     10  C   LIG    1        0.716   0.953  -0.194  0.00  0.00    +0.125 C 
ATOM     11  C   LIG    1        2.104   0.852   0.475  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1        2.982  -0.070  -0.262  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        2.335  -1.271  -0.826  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        0.948  -1.525  -0.202  0.00  0.00    +0.125 C 
BRANCH  12  15
ATOM     15  C   LIG    1        4.363  -0.026  -0.132  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        5.202  -0.705  -1.033  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        6.598  -0.665  -0.924  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.196   0.065   0.095  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.397   0.754   0.997  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.001   0.710   0.879  0.00  0.00    +0.023 A 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.026   1.435  -1.546  0.00  0.00    +0.165 C 
ATOM     22  O   LIG    1       -2.020   2.637  -1.286  0.00  0.00    -0.292 OA
ATOM     23  C   LIG    1       -1.703   0.915  -2.922  0.00  0.00    +0.092 C 
ENDBRANCH   6  21
BRANCH   1  25
ATOM     24  C   LIG    1       -5.378  -0.083   2.751  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -5.253  -0.865   1.449  0.00  0.00    +0.120 C 
ENDBRANCH   1  25
TORSDOF 4