REMARK  Name = BDB055791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.317  -2.079   0.964  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.694  -0.743   1.139  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1        0.160   0.286   0.719  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.365  -0.020   0.085  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.717  -1.351  -0.132  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.886  -2.380   0.309  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.903  -3.138   2.703  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1       -1.156  -3.222   1.399  0.00  0.00    +0.164 C 
ATOM      9  O   LIG    1       -1.211  -4.221   0.685  0.00  0.00    -0.292 OA
ENDBRANCH   1   8
BRANCH   5  10
ATOM     10  N   LIG    1        2.964  -1.671  -0.733  0.00  0.00    -0.216 N 
ATOM     11  H   LIG    1        2.994  -2.461  -1.380  0.00  0.00    +0.174 HD
BRANCH  10  12
ATOM     12  S   LIG    1        4.346  -1.655   0.244  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        5.350  -2.455  -0.420  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        3.947  -1.952   1.604  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1        4.881   0.034   0.179  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1        5.237   0.648  -1.025  0.00  0.00    +0.069 A 
ATOM     17 CL   LIG    1        5.171  -0.129  -2.564  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        5.660   1.984  -1.017  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        5.726   2.692   0.181  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1        6.242   4.332   0.177  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        5.375   2.082   1.383  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.953   0.752   1.384  0.00  0.00    +0.032 A 
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   5  10
BRANCH   2  23
ATOM     23  O   LIG    1       -1.881  -0.428   1.757  0.00  0.00    -0.454 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.799   0.271   1.012  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -3.101  -0.009  -0.317  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -4.078   0.749  -0.979  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.734   1.771  -0.256  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -5.699   2.523  -0.913  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -6.028   2.288  -2.251  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.383   1.279  -2.957  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -4.457   2.031   1.034  0.00  0.00    -0.251 NA
ATOM     32  C   LIG    1       -4.410   0.509  -2.324  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -3.512   1.276   1.642  0.00  0.00    +0.157 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6