REMARK  Name = BDB059351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297   0.628  -0.157  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.474   0.108  -0.667  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.525  -0.876  -0.943  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.286   1.661   0.511  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.386  -0.231  -0.171  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -2.169   0.427   0.061  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -0.964  -0.110  -0.430  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.996  -1.306  -1.148  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        0.131  -1.855  -1.626  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.197  -1.967  -1.384  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.391  -1.433  -0.899  0.00  0.00    +0.030 A 
BRANCH   5  15
ATOM     12  C   LIG    1       -8.150  -0.007   0.605  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.726   0.401   0.664  0.00  0.00    +0.060 A 
ATOM     14  N   LIG    1       -5.788  -0.348   0.077  0.00  0.00    -0.172 NA
ATOM     15  N   LIG    1       -4.617   0.296   0.317  0.00  0.00    -0.240 N 
ATOM     16  C   LIG    1       -4.822   1.445   1.048  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -6.173   1.536   1.285  0.00  0.00    +0.044 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1        2.768   0.681  -0.064  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.545   1.517   0.501  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.603  -0.427   0.943  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.426   0.024   2.305  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.228  -1.763   0.523  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.280  -0.137   0.454  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.764  -0.731  -0.716  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.091  -0.521  -1.093  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.925   0.270  -0.301  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.440   0.851   0.872  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.114   0.646   1.256  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5