REMARK  Name = BDB030226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.185  -0.364  -0.906  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.221   0.539  -0.742  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.153   1.274  -0.033  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.361  -1.449  -1.459  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.885   2.812   1.525  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.662   1.532   0.776  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.388   1.208   0.298  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.387   2.077   0.512  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.153   0.012  -0.379  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.219  -0.882  -0.571  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.509  -0.596  -0.092  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.710   0.620   0.585  0.00  0.00    +0.014 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.619  -1.543  -0.293  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1       -4.930  -2.033  -1.571  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -5.983  -2.926  -1.746  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -6.265  -3.377  -2.976  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -6.748  -3.356  -0.670  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -6.456  -2.884   0.606  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -5.400  -1.985   0.791  0.00  0.00    +0.009 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  N   LIG    1        2.634  -0.028  -0.956  0.00  0.00    -0.108 NA
ATOM     21  H   LIG    1        2.570  -0.967  -1.383  0.00  0.00    +0.172 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.546  -0.163   0.488  0.00  0.00    +0.074 S 
ATOM     23  O   LIG    1        3.672  -1.575   0.776  0.00  0.00    -0.152 OA
ATOM     24  O   LIG    1        2.988   0.767   1.449  0.00  0.00    -0.152 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.118   0.454  -0.039  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.289   1.831  -0.194  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1        6.529   2.314  -0.592  0.00  0.00    +0.119 A 
ATOM     28  C   LIG    1        7.595   1.449  -0.829  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        7.418   0.073  -0.661  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.179  -0.430  -0.262  0.00  0.00    +0.029 A 
BRANCH  27  31
ATOM     31  O   LIG    1        6.664   3.663  -0.742  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1        7.577   3.859  -1.011  0.00  0.00    +0.292 HD
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6