REMARK  Name = BDB056406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.158   0.351   0.684  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        0.328  -0.789   1.488  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.516  -0.997   2.193  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.553  -0.067   2.081  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.402   1.074   1.290  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        1.210   1.271   0.588  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        4.047  -0.315   3.008  0.00  0.00    +0.073 S 
ATOM      8  O   LIG    1        4.888   0.859   2.904  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1        3.646  -0.805   4.313  0.00  0.00    -0.150 OA
BRANCH   7  10
ATOM     10  N   LIG    1        4.789  -1.613   2.263  0.00  0.00    -0.199 N 
ATOM     11  H   LIG    1        5.126  -2.303   2.925  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  C   LIG    1        5.492  -1.407   1.063  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        4.899  -0.630   0.144  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        5.531  -0.492  -1.042  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        6.721  -1.126  -1.359  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.295  -1.955  -0.403  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        6.665  -2.110   0.829  0.00  0.00    +0.045 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1       -2.040   0.407   0.616  0.00  0.00    -0.147 NA
ATOM     19  N   LIG    1       -1.009   0.584  -0.070  0.00  0.00    -0.149 NA
BRANCH  18  26
ATOM     20  C   LIG    1       -5.783   3.438  -0.420  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -5.057   2.144  -0.653  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -5.531   1.205  -1.580  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -4.882  -0.028  -1.790  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -5.463  -1.055  -2.726  0.00  0.00    +0.049 C 
ATOM     25  C   LIG    1       -3.660  -0.266  -1.122  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -3.194   0.663  -0.156  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -3.896   1.852   0.067  0.00  0.00    +0.038 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -2.985  -1.508  -1.260  0.00  0.00    -0.356 N 
ATOM     29  H   LIG    1       -2.029  -1.426  -0.914  0.00  0.00    +0.142 HD
ATOM     30  H   LIG    1       -3.012  -1.876  -2.204  0.00  0.00    +0.142 HD
ENDBRANCH  25  28
BRANCH  22  31
ATOM     31  O   LIG    1       -6.668   1.550  -2.265  0.00  0.00    -0.506 OA
ATOM     32  H   LIG    1       -6.760   0.982  -3.045  0.00  0.00    +0.292 HD
ENDBRANCH  22  31
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 7