REMARK  Name = BDB058343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.415   0.964   0.995  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        0.464   1.544  -0.275  0.00  0.00    +0.069 A 
ATOM      3 CL   LIG    1        1.444   2.888  -0.719  0.00  0.00    -0.081 Cl
ATOM      4  C   LIG    1       -0.309   0.995  -1.311  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.132  -0.114  -1.091  0.00  0.00    +0.055 A 
ATOM      6 CL   LIG    1       -1.978  -0.770  -2.444  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1       -1.208  -0.665   0.188  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -0.426  -0.140   1.224  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.999  -1.865   0.488  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -3.368  -1.884   0.395  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.725  -2.833   0.413  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -1.375  -2.880   0.794  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -4.331  -0.864   0.292  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -5.626  -1.259  -0.070  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -6.655  -0.321  -0.193  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.402   1.023   0.060  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.126   1.424   0.447  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.096   0.484   0.569  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   7   9
BRANCH   1  19
ATOM     19  S   LIG    1        1.353   1.535   2.396  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.885   2.853   2.154  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        0.531   1.285   3.564  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  N   LIG    1        2.616   0.419   2.483  0.00  0.00    -0.216 N 
ATOM     23  H   LIG    1        2.414  -0.360   3.108  0.00  0.00    +0.174 HD
BRANCH  22  27
ATOM     24  C   LIG    1        4.960  -0.311  -0.947  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        4.992   0.947  -0.334  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        4.229   1.192   0.811  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.431   0.182   1.345  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.397  -1.077   0.743  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        4.159  -1.324  -0.403  0.00  0.00    +0.017 A 
BRANCH  24  31
ATOM     30  O   LIG    1        6.508   0.300  -2.687  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1        5.783  -0.525  -2.162  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1        5.657  -1.766  -2.664  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.247  -1.763  -3.447  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  22  27
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 7