REMARK  Name = BDB032607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.785   1.329  -0.609  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -1.133   2.736  -0.575  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.026   0.779  -1.711  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.730   0.413  -0.451  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -3.515   1.101  -0.542  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.298   0.404  -0.475  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.272  -0.988  -0.322  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.491  -1.667  -0.219  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.706  -0.974  -0.281  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.485   1.619   0.874  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.039   1.158  -0.505  0.00  0.00    +0.032 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -1.051  -1.598  -0.255  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -1.012  -3.015  -0.365  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1       -0.050   1.024   0.885  0.00  0.00    -0.192 N 
ATOM     15  H   LIG    1       -0.278   1.817   1.486  0.00  0.00    +0.176 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.399   1.000   0.757  0.00  0.00    +0.201 A 
ATOM     17  S   LIG    1        2.312  -0.344   0.248  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1        3.729   0.597   0.545  0.00  0.00    +0.134 A 
ATOM     19  N   LIG    1        3.457   1.789   1.051  0.00  0.00    -0.140 NA
ATOM     20  N   LIG    1        2.103   2.016   1.191  0.00  0.00    -0.124 NA
BRANCH  18  21
ATOM     21  C   LIG    1        5.089   0.088   0.294  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        6.186   0.793   0.822  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        7.497   0.355   0.614  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.737  -0.795  -0.130  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.667  -1.506  -0.668  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.355  -1.068  -0.460  0.00  0.00    +0.010 A 
ENDBRANCH  18  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6