REMARK  Name = BDB028674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.860  -1.578   0.501  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.964  -0.582   0.935  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.454   0.643   1.344  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.418   1.446   1.700  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.775   0.765   1.528  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.802   0.985   1.374  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.706  -0.003   0.951  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.440  -0.452   1.091  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        3.231  -1.262   0.523  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.234  -3.770  -0.352  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.323  -2.768   0.090  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.344  -1.453   0.773  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -0.996  -2.342   0.419  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.951  -1.455   1.233  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -2.954  -1.249   2.665  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.504  -2.676   0.675  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.679  -0.107   0.318  0.00  0.00    +0.137 A 
ATOM     18  C   LIG    1       -4.526   0.774   1.013  0.00  0.00    +0.098 A 
ATOM     19  C   LIG    1       -5.035   1.885   0.299  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.873   2.798   0.955  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -6.209   2.605   2.285  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.697   1.494   2.912  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.722   2.082  -1.050  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.926   1.169  -1.729  0.00  0.00    +0.006 A 
ATOM     25  N   LIG    1       -4.892   0.599   2.302  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1       -3.409   0.048  -1.070  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -2.576  -0.899  -1.891  0.00  0.00    +0.046 C 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  28
ATOM     28  C   LIG    1        5.192   0.282   0.950  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.715   0.386  -0.406  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        6.279  -0.690  -0.998  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.652  -0.230  -2.195  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.337   1.130  -2.370  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.734   1.504  -1.192  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 6