REMARK  Name = BDB037292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.872   0.719  -1.335  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.446   0.696  -0.829  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.967  -0.502  -1.276  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.272  -0.947  -1.020  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -3.117  -0.122  -0.242  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -2.593   1.094   0.220  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.257   2.193   0.971  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -2.029   3.001   1.386  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.954   2.737   0.457  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.015  -1.155  -1.996  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1       -1.287   1.496  -0.065  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        1.143  -0.392  -2.028  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -4.558  -0.491   0.041  0.00  0.00    +0.149 C 
ATOM     14  O   LIG    1       -4.836  -0.384   1.453  0.00  0.00    -0.372 OA
ATOM     15  C   LIG    1       -5.732  -1.437   1.833  0.00  0.00    +0.161 C 
ATOM     16  C   LIG    1       -6.220  -2.078   0.553  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -5.025  -1.892  -0.348  0.00  0.00    +0.038 C 
ENDBRANCH   5  13
BRANCH   1  18
ATOM     18  N   LIG    1        1.761   1.761  -1.117  0.00  0.00    -0.196 N 
ATOM     19  H   LIG    1        1.499   2.483  -0.449  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.404   1.672  -1.410  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1        3.990   2.830  -0.760  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        3.572   1.477  -2.835  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1        4.755  -0.727  -1.086  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        3.947   0.252  -0.501  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1        3.569   0.114   0.843  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        3.939  -1.024   1.570  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        4.739  -1.998   0.979  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        5.161  -1.841  -0.339  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1        4.634  -1.463  -3.270  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        5.273  -0.583  -2.343  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1        2.781   1.054   1.456  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        3.530   1.793   2.426  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6