REMARK  Name = BDB016542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.420   0.083  -1.768  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1        0.215  -0.499  -1.276  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.703   0.299  -0.591  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.896  -0.232  -0.075  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.186  -1.580  -0.265  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1       -1.295  -2.397  -0.954  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.422   1.729  -0.406  0.00  0.00    +0.265 A 
ATOM      8  O   LIG    1       -1.219   2.416   0.229  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1        0.736   2.217  -0.987  0.00  0.00    -0.256 N 
ATOM     10  C   LIG    1       -0.106  -1.855  -1.458  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        1.653   1.454  -1.694  0.00  0.00    +0.333 A 
ATOM     12  O   LIG    1        2.645   1.970  -2.217  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   5  13
ATOM     13  S   LIG    1       -3.692  -2.246   0.396  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1       -3.747  -3.651   0.055  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1       -3.809  -1.783   1.759  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1       -4.843  -1.489  -0.604  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1       -5.141  -2.181  -1.295  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -5.998  -0.862   0.086  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -6.998  -1.715   0.829  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -7.380  -1.104  -0.486  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -5.715   0.529   0.596  0.00  0.00    +0.029 C 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  C   LIG    1        2.459  -0.738  -2.400  0.00  0.00    +0.181 C 
BRANCH  22  28
ATOM     23  C   LIG    1        4.455  -4.546   0.378  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        4.065  -3.234  -0.187  0.00  0.00    +0.060 A 
ATOM     25  N   LIG    1        4.501  -2.104   0.372  0.00  0.00    -0.176 NA
ATOM     26  N   LIG    1        3.984  -1.123  -0.394  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1        4.332   0.244  -0.081  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        3.178  -1.593  -1.404  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        3.250  -2.971  -1.307  0.00  0.00    +0.049 A 
ENDBRANCH  22  28
ENDBRANCH   1  22
BRANCH   9  30
ATOM     30  C   LIG    1        1.047   3.626  -0.787  0.00  0.00    +0.168 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.974   3.758   0.375  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        1.679   3.705   1.723  0.00  0.00    +0.113 A 
ATOM     33  N   LIG    1        2.864   3.849   2.382  0.00  0.00    -0.274 N 
ATOM     34  C   LIG    1        3.071   3.848   3.809  0.00  0.00    +0.172 C 
ATOM     35  N   LIG    1        3.917   3.992   1.558  0.00  0.00    -0.180 NA
ATOM     36  C   LIG    1        3.375   3.947   0.340  0.00  0.00    +0.139 A 
ENDBRANCH  30  31
ENDBRANCH   9  30
TORSDOF 7