REMARK  Name = BDB059415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448  -0.038   0.665  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -0.766   1.218   0.130  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1        0.077   2.285   0.141  0.00  0.00    -0.218 NA
ATOM      4  C   LIG    1        1.268   2.115   0.760  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        1.663   0.915   1.323  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        0.792  -0.173   1.294  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.619  -3.827   1.937  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.778  -2.884   1.154  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -2.622  -2.852  -0.222  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.754  -1.825  -0.549  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.391  -1.585  -1.875  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -1.903  -2.345  -2.853  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -2.780  -3.359  -2.549  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.173  -3.936  -3.283  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.360  -1.182   0.614  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -3.192  -3.682  -1.264  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -3.976  -4.609  -1.078  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.972  -1.836   1.672  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        3.230   0.819   2.107  0.00  0.00    +0.060 S 
ATOM     20  O   LIG    1        3.443   2.082   2.780  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        3.311  -0.431   2.825  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        4.317   0.802   0.843  0.00  0.00    -0.185 NA
ATOM     23  H   LIG    1        4.880   1.650   0.781  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.522  -0.248  -0.173  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1        5.996  -0.151  -0.609  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        3.632   0.043  -1.386  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        4.269  -1.663   0.347  0.00  0.00    +0.029 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   5  19
BRANCH   2  28
ATOM     28  O   LIG    1       -1.994   1.364  -0.505  0.00  0.00    -0.434 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.587   2.596  -0.379  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1       -2.924   3.135   0.866  0.00  0.00    +0.168 A 
ATOM     31  F   LIG    1       -2.659   2.460   1.994  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1       -3.559   4.367   0.957  0.00  0.00    +0.080 A 
ATOM     33  C   LIG    1       -3.867   5.050  -0.213  0.00  0.00    +0.126 A 
ATOM     34  F   LIG    1       -4.481   6.238  -0.139  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -3.560   4.518  -1.464  0.00  0.00    +0.042 A 
ATOM     36  C   LIG    1       -2.923   3.279  -1.550  0.00  0.00    +0.052 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 6