REMARK  Name = BDB059416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.347   0.744   0.687  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        0.964   0.247   0.709  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1        2.062   1.021   0.927  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1        1.856   2.342   1.129  0.00  0.00    +0.141 A 
ATOM      5  C   LIG    1        0.601   2.919   1.102  0.00  0.00    +0.107 A 
ATOM      6  C   LIG    1       -0.519   2.115   0.898  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -4.727  -1.785   1.364  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -3.479  -1.247   0.762  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -2.977  -1.519  -0.499  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.799  -0.814  -0.674  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.101  -0.873  -1.880  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -1.556  -1.641  -2.879  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -2.715  -2.363  -2.718  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.064  -2.948  -3.467  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.523  -0.106   0.486  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -3.487  -2.360  -1.565  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.514  -3.029  -1.503  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -2.563  -0.348   1.370  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        0.433   4.649   1.383  0.00  0.00    -0.004 S 
ATOM     20  O   LIG    1       -0.877   4.866   1.964  0.00  0.00    -0.170 OA
ATOM     21  O   LIG    1        1.633   5.098   2.062  0.00  0.00    -0.170 OA
ATOM     22  C   LIG    1        0.436   5.336  -0.252  0.00  0.00    +0.200 C 
ENDBRANCH   5  19
BRANCH   2  23
ATOM     23  O   LIG    1        1.133  -1.127   0.557  0.00  0.00    -0.434 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.398  -1.553   0.241  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1        2.970  -1.286  -1.006  0.00  0.00    +0.168 A 
ATOM     26  F   LIG    1        2.295  -0.580  -1.926  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        4.237  -1.762  -1.320  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1        4.920  -2.520  -0.377  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        6.141  -2.986  -0.670  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.356  -2.814   0.863  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.083  -2.335   1.173  0.00  0.00    +0.052 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 4