REMARK  Name = BDB032618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.022  -2.784   0.346  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.275  -3.473   1.050  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.076  -1.987   0.605  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.722  -2.122   1.764  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.750  -1.199   1.730  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.725  -0.522   0.545  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.672  -0.999  -0.202  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.758   0.489   0.343  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.683   0.801   1.352  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        4.667   1.773   1.149  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.741   2.449  -0.066  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.832   2.153  -1.078  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.848   1.181  -0.875  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -3.139  -3.576  -0.724  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -2.128  -2.551  -0.872  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.420  -2.366  -2.121  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.885  -1.007  -0.424  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -3.652  -0.939   0.744  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -4.246   0.270   1.103  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.080   1.397   0.297  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.325   1.320  -0.875  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.727   0.115  -1.243  0.00  0.00    +0.029 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4