REMARK  Name = BDB033568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.059  -0.223  -0.179  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.280  -0.123   0.275  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.782  -1.394   0.100  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.083  -1.772   0.407  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -2.940  -0.773   0.919  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.462   0.554   1.103  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.367   1.635   1.651  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -2.772   3.022   1.466  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -1.310   2.980   1.855  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.570   2.122   0.985  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.191  -2.200  -0.400  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1       -1.114   0.874   0.807  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        1.357  -1.468  -0.560  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        1.967   0.829  -0.160  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1        1.633   1.741   0.152  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.271   0.932  -1.207  0.00  0.00    +0.079 S 
ATOM     17  O   LIG    1        2.849   0.423  -2.494  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.742   2.295  -1.055  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1        5.610  -0.443  -1.291  0.00  0.00    +0.242 A 
ATOM     20  C   LIG    1        4.508  -0.108  -0.521  0.00  0.00    +0.170 A 
ATOM     21  C   LIG    1        4.421  -0.605   0.782  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1        5.431  -1.434   1.262  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        6.491  -1.726   0.423  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1        6.606  -1.246  -0.834  0.00  0.00    -0.220 NA
BRANCH  19  26
ATOM     25  C   LIG    1        6.845  -0.408  -3.288  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        5.734   0.093  -2.553  0.00  0.00    -0.478 OA
ENDBRANCH  19  26
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  C   LIG    1       -4.366  -1.177   1.252  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.313  -0.825   0.200  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1       -6.381  -0.053   0.494  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -7.042   0.030  -0.663  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -6.421  -0.703  -1.689  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.311  -1.259  -1.097  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6