REMARK  Name = BDB032594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.413   2.579  -0.410  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.758   3.375   0.124  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.197   2.039  -0.034  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.464   2.562   0.999  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.616   1.806   1.128  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.645   0.839   0.166  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.505   0.956  -0.598  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.804  -0.046   0.158  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.941  -1.031  -0.834  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.046  -1.887  -0.849  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.032  -1.771   0.127  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.915  -0.801   1.118  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.809   0.055   1.133  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        3.696   2.687  -1.446  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.546   1.812  -1.361  0.00  0.00    +0.079 S 
ATOM     16  O   LIG    1        1.881   1.355  -2.562  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.018   0.435  -0.389  0.00  0.00    +0.178 A 
ATOM     18  C   LIG    1        2.882  -0.865  -0.849  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1        2.367  -1.140  -2.053  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        3.276  -1.939  -0.050  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.811  -1.710   1.218  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.947  -0.402   1.681  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.551   0.663   0.875  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1        3.678   1.907   1.356  0.00  0.00    -0.203 F 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4