REMARK  Name = BDB028667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118  -1.817   0.964  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.426  -1.264   0.975  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.975  -1.696  -0.216  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -3.264  -1.397  -0.647  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.038  -0.601   0.211  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.501  -0.146   1.435  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -1.061  -2.444  -0.888  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.191  -0.460   1.840  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.107  -2.518  -0.150  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.803  -1.626   1.981  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.534  -1.055   2.780  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.333  -2.267   2.033  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        2.933  -1.762   3.253  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.290  -3.688   1.772  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1        4.541  -0.196  -1.393  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        4.348   0.471  -0.174  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        3.666  -0.161   0.869  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        3.165  -1.455   0.686  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        3.357  -2.129  -0.523  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.033  -1.492  -1.566  0.00  0.00    +0.015 A 
BRANCH  15  24
ATOM     21  C   LIG    1        7.073   1.931  -3.223  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.238   1.355  -2.199  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        6.590   1.359  -1.251  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.256   0.443  -2.532  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        4.984   0.129  -3.684  0.00  0.00    -0.270 OA
ENDBRANCH  15  24
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1       -1.597  -0.048   3.003  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1       -2.355   0.815   3.845  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1       -5.452  -0.226  -0.178  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.569   1.198  -0.465  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1       -5.983   2.051   0.497  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.987   3.238  -0.116  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -5.582   3.150  -1.460  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.321   1.815  -1.660  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7