REMARK  Name = BDB002756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.842   0.654   1.181  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -1.551  -0.084   2.105  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1       -1.022  -0.687   3.568  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1       -3.186  -0.363   1.518  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1       -2.897   0.458   0.040  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -3.753   0.686  -0.965  0.00  0.00    +0.031 C 
ATOM      7  C   LIG    1       -1.494   0.950  -0.004  0.00  0.00    +0.258 C 
ATOM      8  O   LIG    1       -0.996   1.497  -0.979  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.160   0.271  -1.025  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -6.164   1.238  -1.151  0.00  0.00    +0.131 A 
ATOM     11  F   LIG    1       -5.842   2.540  -1.195  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -7.507   0.880  -1.231  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -7.865  -0.467  -1.194  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -6.877  -1.445  -1.083  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.529  -1.080  -1.004  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  C   LIG    1        0.554   1.075   1.335  0.00  0.00    +0.124 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.520   0.075   0.703  0.00  0.00    +0.115 C 
BRANCH  17  20
ATOM     18  N   LIG    1        3.832  -0.340   0.237  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1        3.464  -1.126  -0.278  0.00  0.00    +0.156 HD
ATOM     20  C   LIG    1        2.959   0.517   0.879  0.00  0.00    +0.220 C 
ATOM     21  O   LIG    1        3.247   1.514   1.530  0.00  0.00    -0.275 OA
BRANCH  18  26
ATOM     22  C   LIG    1        8.700  -1.004  -0.583  0.00  0.00    +0.089 C 
ATOM     23  C   LIG    1        7.338  -0.597  -0.201  0.00  0.00    +0.136 A 
ATOM     24  O   LIG    1        7.234   0.514   0.572  0.00  0.00    -0.358 OA
ATOM     25  N   LIG    1        5.904   0.762   0.842  0.00  0.00    -0.063 NA
ATOM     26  C   LIG    1        5.208  -0.200   0.231  0.00  0.00    +0.168 A 
ATOM     27  C   LIG    1        6.080  -1.088  -0.446  0.00  0.00    +0.091 A 
ENDBRANCH  18  26
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5