REMARK  Name = BDB003664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.222   0.812  -0.337  0.00  0.00    +0.108 A 
ATOM      2  C   LIG    1        1.030   0.156  -0.686  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        0.844  -1.138  -0.190  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        1.821  -1.706   0.611  0.00  0.00    +0.156 A 
ATOM      5  O   LIG    1        1.402  -2.954   0.957  0.00  0.00    -0.431 OA
ATOM      6  C   LIG    1        0.179  -3.080   0.351  0.00  0.00    +0.258 A 
ATOM      7  C   LIG    1        3.009  -1.085   0.979  0.00  0.00    +0.050 A 
ATOM      8  N   LIG    1       -0.196  -2.022  -0.349  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        3.192   0.211   0.483  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1        2.514   2.464  -0.925  0.00  0.00    +0.060 S 
ATOM     11  O   LIG    1        2.895   3.257   0.224  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        1.411   2.852  -1.777  0.00  0.00    -0.153 OA
BRANCH  10  14
ATOM     13  C   LIG    1        3.663   1.457  -3.146  0.00  0.00    +0.131 C 
ATOM     14  N   LIG    1        3.889   2.265  -1.926  0.00  0.00    -0.183 NA
ATOM     15  C   LIG    1        4.555   3.550  -2.248  0.00  0.00    +0.131 C 
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  S   LIG    1       -0.773  -4.527   0.500  0.00  0.00    -0.058 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.319  -4.014  -0.292  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.139  -3.136   0.641  0.00  0.00    +0.228 C 
ATOM     19  N   LIG    1       -2.892  -1.786   0.481  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1       -2.107  -1.528  -0.120  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -3.936  -3.635   1.433  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.503  -0.707   1.155  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.027   0.580   0.870  0.00  0.00    +0.144 A 
ATOM     24  F   LIG    1       -2.034   0.737  -0.020  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1       -3.560   1.711   1.482  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -4.597   1.567   2.399  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.088   0.295   2.692  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.546  -0.839   2.072  0.00  0.00    +0.026 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6