REMARK  Name = BDB059404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151  -0.503   0.457  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.215   0.799   0.987  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        1.447   1.401   1.274  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.631   0.722   0.994  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.573  -0.558   0.435  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1        1.346  -1.176   0.171  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.781  -2.680  -1.963  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.896  -2.133  -0.901  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.159  -2.082   0.457  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.077  -1.506   1.101  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.059  -1.369   2.489  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.108  -1.777   3.215  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.200  -2.335   2.591  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.997  -2.644   3.134  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.124  -1.159   0.155  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.308  -2.525   1.222  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -5.317  -3.034   0.742  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.609  -1.561  -1.080  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        4.092  -1.412   0.091  0.00  0.00    +0.060 S 
ATOM     20  O   LIG    1        4.915  -1.302   1.276  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        3.776  -2.699  -0.490  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        4.790  -0.450  -1.143  0.00  0.00    -0.183 NA
ATOM     23  C   LIG    1        6.227  -0.745  -1.354  0.00  0.00    +0.131 C 
ATOM     24  C   LIG    1        4.048  -0.442  -2.424  0.00  0.00    +0.131 C 
ENDBRANCH  19  22
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1       -0.954   1.463   1.295  0.00  0.00    -0.452 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.186   2.633   0.608  0.00  0.00    +0.164 A 
ATOM     27  C   LIG    1       -1.555   3.759   1.348  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -1.625   3.692   2.685  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.839   4.964   0.718  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -1.765   5.030  -0.667  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -2.037   6.185  -1.286  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.419   3.913  -1.425  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -1.134   2.704  -0.787  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5