REMARK  Name = BDB061103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.900  -0.833   1.154  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -2.479   0.096   0.384  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -1.635   0.937  -0.241  0.00  0.00    +0.272 A 
ATOM      4  N   LIG    1       -0.293   0.958  -0.183  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        0.251   0.023   0.612  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.524  -0.894   1.307  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.719   0.038   0.723  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.579  -0.180  -0.398  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.983  -0.170  -0.218  0.00  0.00    +0.072 A 
ATOM     10  N   LIG    1        4.857  -0.379  -1.218  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        4.371  -0.598  -2.457  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        3.026  -0.630  -2.755  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.498   0.060   1.048  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.675   0.283   2.149  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        2.127  -0.422  -1.715  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.296   0.271   1.986  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   3  17
ATOM     17  S   LIG    1       -2.383   2.150  -1.311  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -2.030   3.475  -0.827  0.00  0.00    -0.167 OA
ATOM     19  O   LIG    1       -2.125   1.759  -2.688  0.00  0.00    -0.167 OA
ATOM     20  C   LIG    1       -4.124   1.960  -1.038  0.00  0.00    +0.204 C 
ENDBRANCH   3  17
BRANCH   1  22
ATOM     21  C   LIG    1       -4.116  -1.668   1.633  0.00  0.00    +0.127 C 
ATOM     22  N   LIG    1       -2.685  -1.738   1.885  0.00  0.00    -0.332 N 
ATOM     23  H   LIG    1       -2.328  -2.683   1.770  0.00  0.00    +0.147 HD
ENDBRANCH   1  22
TORSDOF 3