REMARK  Name = BDB035946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535   1.049  -0.708  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.669   0.408  -0.345  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.038   1.014   0.843  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.191   0.696   1.571  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        3.021  -0.312   1.043  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1        2.665  -0.947  -0.143  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.384  -1.981  -0.928  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.261  -2.402  -1.877  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.309  -1.318  -1.996  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.107   1.950   1.167  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.506  -0.595  -0.829  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -0.884   1.970   0.197  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.248  -0.661   1.736  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        5.561  -0.113   1.514  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        5.887   0.943   0.509  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        6.485  -0.697   2.361  0.00  0.00    +0.049 A 
ATOM     17  S   LIG    1        5.795  -1.868   3.396  0.00  0.00    -0.104 S 
ATOM     18  C   LIG    1        4.242  -1.616   2.732  0.00  0.00    +0.054 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.258   0.740  -1.850  0.00  0.00    -0.196 N 
ATOM     20  H   LIG    1       -0.985  -0.081  -2.387  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.825   1.246  -2.139  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1       -2.793   2.691  -2.229  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.298   0.457  -3.262  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.610  -0.614  -0.281  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.740   0.712  -0.720  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.599   1.576  -0.036  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.302   1.122   1.088  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -5.128  -0.181   1.551  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.279  -1.048   0.869  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -3.541  -2.487  -1.627  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -2.781  -1.496  -0.927  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -4.877   2.834  -0.495  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.263   3.831   0.324  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6