REMARK  Name = BDB057657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.452  -0.611  -0.417  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        0.320  -0.246   0.336  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.935  -0.078  -0.270  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.029  -0.304  -1.651  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -2.261  -0.176  -2.288  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.346  -0.332  -3.284  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.419   0.145  -1.645  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -3.346   0.378  -0.168  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.693   0.677   0.435  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -4.750   0.498   2.239  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -3.200   1.347   2.605  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.022   0.620   1.959  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -4.473   0.250  -2.266  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.087  -0.664  -2.412  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -2.160   0.311   0.481  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        1.328  -0.815  -1.795  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        2.748  -0.763   0.300  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        2.880  -0.560   1.496  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.726  -1.146  -0.558  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.779  -0.013   0.042  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.027  -1.330   0.019  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3