REMARK  Name = BDB061004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.389  -0.456   1.275  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1       -0.150  -1.120   1.029  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        0.874  -0.410   0.336  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.121  -1.048   0.025  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.353  -2.341   0.508  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.376  -3.031   1.211  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.626   0.941  -0.011  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.577   1.582   0.276  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.144  -2.435   1.458  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.587   0.884   0.913  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -2.611  -1.139   3.472  0.00  0.00    -0.153 OA
ATOM     12  S   LIG    1       -2.753  -1.310   2.044  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1       -2.908  -2.614   1.437  0.00  0.00    -0.153 OA
BRANCH  12  14
ATOM     14  N   LIG    1       -4.108  -0.422   1.607  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1       -4.706  -0.192   2.400  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -4.755  -0.751   0.340  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.711   0.344  -0.066  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -7.049   0.312   0.352  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -7.925   1.339  -0.001  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.471   2.411  -0.768  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.141   2.458  -1.180  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.263   1.432  -0.828  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  N   LIG    1        3.106  -0.331  -0.688  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        2.662   0.161  -1.461  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.395  -0.920  -1.080  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1        4.967  -0.122  -2.262  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.299   1.331  -1.909  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.758   1.519  -0.464  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.374   0.249   0.102  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.380  -0.917   0.107  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6