REMARK  Name = BDB028662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.625   0.249  -1.624  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.016   1.405  -1.100  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.592   2.047  -0.022  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.833   3.121   0.323  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.261   3.203  -0.521  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.766   1.642   0.606  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.386   0.494   0.086  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.145   2.178  -1.370  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.816  -0.184  -1.013  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.600  -1.556  -3.179  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.006  -0.363  -2.680  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.050   1.883  -2.385  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -0.948   0.963  -2.817  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.649   2.369  -2.345  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -2.686   3.817  -2.425  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.365   1.582  -3.330  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.248   1.890  -0.749  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -3.029   0.582  -0.309  0.00  0.00    +0.098 A 
ATOM     19  C   LIG    1       -3.519   0.237   0.977  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.298  -1.085   1.445  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -2.611  -1.990   0.636  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.169  -1.565  -0.596  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -3.781  -1.549   2.794  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.200   1.211   1.745  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.397   2.506   1.274  0.00  0.00    +0.003 A 
ATOM     26  N   LIG    1       -2.362  -0.319  -1.068  0.00  0.00    -0.253 NA
ATOM     27  C   LIG    1       -3.918   2.851   0.022  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  28
ATOM     28  C   LIG    1        4.663  -0.024   0.710  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.436  -1.268   1.433  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        4.664  -2.454   0.828  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.380  -3.351   1.776  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        3.976  -2.749   2.981  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        4.026  -1.398   2.730  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 6