REMARK  Name = BDB029745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.352  -1.788   0.929  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        0.150  -0.476   0.256  0.00  0.00    +0.049 A 
ATOM      3  N   LIG    1        1.156   0.464   0.009  0.00  0.00    -0.236 N 
ATOM      4  N   LIG    1        0.617   1.640  -0.419  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.677   1.392  -0.589  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.033   0.099  -0.186  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -2.305  -0.551  -0.197  0.00  0.00    +0.031 C 
ATOM      8  C   LIG    1       -3.532  -0.020  -0.093  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1       -4.745  -0.884  -0.120  0.00  0.00    +0.256 C 
ATOM     10  O   LIG    1       -4.749  -2.097  -0.249  0.00  0.00    -0.269 OA
ATOM     11  N   LIG    1       -5.864  -0.114   0.026  0.00  0.00    -0.270 N 
ATOM     12  H   LIG    1       -6.777  -0.542   0.031  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1       -5.702   1.229   0.171  0.00  0.00    +0.118 C 
ATOM     14  S   LIG    1       -6.958   2.290   0.361  0.00  0.00    -0.027 S 
ATOM     15  S   LIG    1       -4.001   1.626   0.123  0.00  0.00    -0.061 S 
ENDBRANCH   6   7
BRANCH   3  16
ATOM     16  C   LIG    1        2.579   0.371   0.128  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        3.337   1.557   0.123  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.729   1.518   0.235  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.384   0.296   0.338  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.649  -0.887   0.319  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.254  -0.853   0.209  0.00  0.00    +0.028 A 
ENDBRANCH   3  16
TORSDOF 2