REMARK  Name = BDB018676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.685  -0.393  -0.633  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.754  -0.685  -1.762  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.362  -0.692  -1.127  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.397  -1.571  -1.911  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.759  -2.438  -2.702  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.066  -1.426  -1.611  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.444  -2.107  -2.028  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.539  -0.358  -0.877  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.365   0.714  -0.531  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.824   1.791   0.174  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.474   1.783   0.537  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.633   0.711   0.191  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -1.187  -0.359  -0.531  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.794   0.731  -1.006  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.661  -1.328   0.239  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -7.010  -0.745   0.643  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        0.790   0.714   0.569  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.348  -0.359   1.287  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.697  -0.360   1.651  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.506   0.720   1.290  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        2.978   1.800   0.584  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        1.627   1.791   0.225  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  S   LIG    1        5.217   0.707   1.762  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1        5.265   0.395   3.174  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        5.844   1.901   1.238  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        5.828  -0.627   0.899  0.00  0.00    -0.172 NA
ATOM     27  C   LIG    1        7.133  -1.162   1.401  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        8.314  -0.368   0.837  0.00  0.00    +0.177 C 
ATOM     29  O   LIG    1        8.302  -0.398  -0.598  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        7.103   0.207  -1.102  0.00  0.00    +0.177 C 
ATOM     31  C   LIG    1        5.851  -0.519  -0.594  0.00  0.00    +0.137 C 
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  12  17
BRANCH   1  33
ATOM     32  N   LIG    1      -10.155  -0.136  -0.883  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -9.010  -0.256  -0.769  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 4