REMARK  Name = BDB028670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.133  -0.283   1.272  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.199   0.070   0.404  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.294  -1.007  -0.455  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.216  -1.114  -1.492  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.098  -0.032  -1.655  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.018   1.084  -0.795  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.351  -1.929  -0.128  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.081   1.157   0.252  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.383  -1.474   0.954  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.312   0.526   2.305  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.130   1.433   2.440  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        1.555   0.170   3.347  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        1.696   1.331   4.205  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        1.360  -1.144   3.919  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1        5.262   0.086   0.671  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        4.704   1.304   1.077  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.570   1.337   1.890  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        2.981   0.135   2.289  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        3.535  -1.087   1.901  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.671  -1.109   1.085  0.00  0.00    +0.047 A 
BRANCH  15  21
ATOM     21  O   LIG    1        6.364   0.211  -0.127  0.00  0.00    -0.492 OA
BRANCH  21  23
ATOM     22  C   LIG    1        6.558  -1.571  -1.761  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        7.098  -0.961  -0.479  0.00  0.00    +0.225 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  24
ATOM     24  O   LIG    1       -1.946   2.203   1.125  0.00  0.00    -0.494 OA
ATOM     25  C   LIG    1       -2.988   3.174   1.125  0.00  0.00    +0.277 C 
ENDBRANCH   8  24
BRANCH   5  26
ATOM     26  C   LIG    1       -4.132  -0.061  -2.760  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.485  -0.137  -2.226  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1       -6.218   0.987  -2.077  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -7.380   0.543  -1.591  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1       -7.397  -0.855  -1.433  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -6.157  -1.269  -1.857  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8