REMARK  Name = BDB059311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.062  -0.841  -3.331  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.552  -0.201  -2.416  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.288   0.298  -1.356  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.838   0.648  -0.512  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.903   0.081  -2.409  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.640   0.136  -1.223  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.006   0.397  -1.293  0.00  0.00    +0.072 A 
ATOM      8  N   LIG    1       -3.625   0.607  -2.484  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -2.894   0.519  -3.616  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -1.542   0.255  -3.633  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.873   0.473  -0.097  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.625  -0.287   1.062  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.452  -0.194   2.187  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.551   0.659   2.177  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.827   1.415   1.042  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.998   1.319  -0.080  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.637  -0.387  -1.113  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.938  -0.916  -1.947  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.629  -1.450   0.232  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.012  -2.750  -0.276  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.387  -1.253   0.955  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.950  -0.820   1.202  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        3.834   0.454   1.744  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        2.749   1.208   1.520  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        4.859   0.976   2.528  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.003   0.214   2.772  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.118  -1.069   2.231  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.090  -1.593   1.444  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5