REMARK  Name = BDB064079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.428   0.302   0.329  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.003   0.117   0.155  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        2.386  -0.886  -0.571  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1        3.067  -2.131  -1.427  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        1.015  -0.696  -0.483  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        0.334  -1.263  -0.969  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        0.748   0.412   0.268  0.00  0.00    +0.098 C 
ATOM      8  C   LIG    1       -0.436   0.953   0.568  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        2.067   0.969   0.705  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1        2.238   1.953   1.400  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.741   0.438   0.166  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1       -2.562   1.350  -0.399  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1       -3.793   0.932  -0.767  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.253  -0.361  -0.586  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.403  -1.281   0.015  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.128  -0.878   0.404  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
TORSDOF 1