REMARK  Name = BDB055379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.857  -0.674   0.063  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -0.642  -0.959   0.679  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.401  -0.117   0.218  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.055   0.765  -0.719  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.706   1.707  -1.353  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1        0.303   2.331  -2.038  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        2.043   1.798  -1.040  0.00  0.00    +0.264 A 
ATOM      8  C   LIG    1        2.602   0.856  -0.014  0.00  0.00    +0.124 A 
ATOM      9  O   LIG    1        2.779   2.627  -1.577  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.782  -0.048   0.568  0.00  0.00    +0.032 A 
ATOM     11  S   LIG    1       -1.687   0.625  -1.067  0.00  0.00    -0.066 S 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.371  -0.810  -0.420  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1       -3.140  -1.344   0.276  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1       -3.254  -2.336   1.003  0.00  0.00    -0.292 OA
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  N   LIG    1       -0.485  -1.921   1.613  0.00  0.00    -0.356 N 
ATOM     16  H   LIG    1        0.420  -2.266   1.915  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -1.252  -2.570   1.811  0.00  0.00    +0.142 HD
ENDBRANCH   2  15
BRANCH   8  18
ATOM     18  C   LIG    1        4.025   0.872   0.393  0.00  0.00    +0.342 C 
ATOM     19  O   LIG    1        4.491   0.104   1.222  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.785   1.802  -0.223  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        4.303   2.365  -0.876  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4