REMARK  Name = BDB046992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164   1.602  -0.305  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -1.270   1.571  -0.359  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.689   0.251  -0.133  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.062  -0.086  -0.093  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.612  -1.439   0.174  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.864  -2.565  -0.034  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.398  -3.417   0.103  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.575  -2.646  -0.676  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.495  -1.949   0.133  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.767  -1.572   0.573  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.998   0.949  -0.282  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.601   2.258  -0.515  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.536  -0.498   0.012  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.246   2.576  -0.553  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.588   0.311  -0.003  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        1.951  -0.183   0.207  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.876  -0.169  -0.846  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.178  -0.631  -0.643  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.550  -1.103   0.611  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.798  -1.546   0.805  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.646  -1.120   1.667  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.344  -0.657   1.466  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.041   2.746  -0.461  0.00  0.00    +0.079 C 
ATOM     24  S   LIG    1        1.040   3.611  -1.875  0.00  0.00    -0.035 S 
BRANCH  23  25
ATOM     25  N   LIG    1        1.868   3.046   0.580  0.00  0.00    -0.352 N 
ATOM     26  H   LIG    1        1.895   2.479   1.417  0.00  0.00    +0.143 HD
ATOM     27  H   LIG    1        2.528   3.807   0.490  0.00  0.00    +0.143 HD
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 3