REMARK  Name = BDB028673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.733   0.869   0.455  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.938  -0.292   0.453  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.307  -1.365  -0.335  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.401  -2.366  -0.184  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.581  -1.970   0.707  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.433  -1.397  -1.153  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.229  -0.241  -1.161  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.251  -0.734   1.090  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.872   0.873  -0.370  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.262   2.964   1.449  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -1.327   1.908   1.250  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        0.973   0.042   1.983  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        0.649   0.987   2.182  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.370  -0.415   2.753  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.781   0.734   3.538  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.188  -1.704   3.386  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.538  -0.578   1.425  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        4.136   0.569   0.893  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        5.081   0.460  -0.139  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        5.710   1.708  -0.696  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.426  -0.818  -0.628  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        6.434  -0.988  -1.732  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        4.825  -1.958  -0.069  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.889  -1.843   0.958  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1       -4.471  -0.185  -2.025  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.683  -0.123  -1.219  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -6.265   1.068  -0.962  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -7.333   0.745  -0.229  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -7.442  -0.642  -0.020  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -6.360  -1.180  -0.677  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6