REMARK  Name = BDB046190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.644  -1.060  -2.554  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -1.990  -1.530  -0.652  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -2.661  -1.076   0.500  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -2.662   0.286   0.861  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -1.994   1.199   0.040  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.324   0.763  -1.105  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.299  -0.593  -1.440  0.00  0.00    +0.127 A 
BRANCH   3   8
ATOM      8  O   LIG    1       -3.306  -2.021   1.264  0.00  0.00    -0.506 OA
ATOM      9  H   LIG    1       -3.718  -1.567   2.033  0.00  0.00    +0.292 HD
ENDBRANCH   3   8
BRANCH   4  10
ATOM     10  C   LIG    1       -3.356   0.742   2.106  0.00  0.00    +0.166 C 
ATOM     11  O   LIG    1       -3.930  -0.099   2.799  0.00  0.00    -0.292 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -3.322   2.215   2.477  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1       -4.081   2.502   3.763  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
ENDBRANCH   4  10
BRANCH   2  14
ATOM     14  C   LIG    1       -1.972  -3.001  -1.016  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.466  -3.836   0.871  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.674  -3.719  -0.632  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.625  -0.438  -2.785  0.00  0.00    +0.230 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.476  -1.379  -3.632  0.00  0.00    +0.052 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.854  -0.811  -3.968  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  S   LIG    1        4.160  -1.222  -2.750  0.00  0.00    -0.124 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.739  -0.139  -1.388  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        3.321  -0.620  -0.136  0.00  0.00    +0.055 A 
ATOM     23 CL   LIG    1        3.173  -2.308   0.211  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        2.971   0.273   0.886  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        3.053   1.657   0.688  0.00  0.00    -0.035 A 
ATOM     26  C   LIG    1        3.491   2.136  -0.552  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.835   1.247  -1.576  0.00  0.00    +0.016 A 
BRANCH  25  28
ATOM     28  C   LIG    1        2.646   2.614   1.784  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.225   3.127   1.655  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        0.565   3.149   0.628  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.737   3.623   2.818  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        1.357   3.580   3.571  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14