REMARK  Name = BDB016537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.105   0.660  -0.428  0.00  0.00    -0.256 N 
ATOM      2  C   LIG    1       -2.206  -0.722  -0.366  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1       -3.216  -1.308  -0.763  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -1.113  -1.415   0.153  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.077  -0.754   0.565  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.175   0.630   0.419  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        1.330   1.330   0.804  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        2.414   0.628   1.327  0.00  0.00    +0.106 A 
ATOM      9  C   LIG    1        2.339  -0.753   1.495  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.179  -1.436   1.112  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -0.951   1.375  -0.160  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1       -0.809   2.573  -0.395  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   8  13
ATOM     13  S   LIG    1        3.865   1.511   1.840  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1        4.658   0.624   2.661  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        3.422   2.796   2.336  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        4.683   1.816   0.408  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1        4.609   2.779   0.081  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        5.002   0.764  -0.565  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        6.465   0.581  -0.907  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        5.731  -0.496  -0.168  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        4.035   0.693  -1.721  0.00  0.00    +0.029 C 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  13
BRANCH   1  22
ATOM     22  C   LIG    1       -3.260   1.405  -0.919  0.00  0.00    +0.170 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -5.892  -0.151   0.311  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -5.271   1.121   0.751  0.00  0.00    +0.086 A 
ATOM     25  C   LIG    1       -4.132   1.800   0.227  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -4.043   2.929   1.017  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1       -3.141   4.097   1.059  0.00  0.00    +0.089 C 
ATOM     28  O   LIG    1       -5.028   2.911   1.951  0.00  0.00    -0.359 OA
ATOM     29  N   LIG    1       -5.799   1.780   1.789  0.00  0.00    -0.083 NA
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   4  30
ATOM     30  C   LIG    1       -1.228  -2.874   0.235  0.00  0.00    +0.130 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.570  -3.531  -0.948  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -1.319  -3.718  -2.243  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -1.002  -4.909  -1.382  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH   4  30
TORSDOF 7