REMARK  Name = BDB028588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.764   0.369  -2.163  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.518   0.905  -1.088  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.362   0.828   0.009  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.551  -0.031  -0.092  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -3.867  -0.791   1.212  0.00  0.00    +0.094 C 
ATOM      6  S   LIG    1       -4.201   0.324   2.645  0.00  0.00    -0.150 S 
ATOM      7  C   LIG    1       -3.526   1.880   1.982  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1       -2.230   1.674   1.202  0.00  0.00    +0.120 C 
ATOM      9  N   LIG    1       -0.374   1.636  -0.872  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.009   1.509   0.059  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.005  -1.783   1.042  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -4.796  -3.142   1.327  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.826  -4.072   1.167  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.079  -3.656   0.725  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.306  -2.311   0.446  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.278  -1.380   0.604  0.00  0.00    +0.005 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.623   1.727  -1.928  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.668   2.822  -1.690  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.519   2.923  -2.839  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.121   3.674  -2.693  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.509   2.688  -0.392  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.339   1.508  -0.115  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.175   1.076  -1.245  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.080  -0.091  -0.900  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.795  -0.927   0.194  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.628  -2.019   0.472  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.723  -2.296  -0.346  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.996  -1.482  -1.443  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.634  -0.610   1.102  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.178  -0.387  -1.722  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.632   0.367   0.466  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6