REMARK  Name = BDB034820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.580  -0.052  -0.259  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        2.445  -0.600   0.357  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.181  -0.284  -0.169  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.026   0.549  -1.277  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.283   0.766  -1.675  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1       -1.098   0.107  -0.887  0.00  0.00    +0.165 A 
ATOM      7  C   LIG    1        2.176   1.089  -1.885  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1       -0.375  -0.792   0.360  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        3.443   0.782  -1.371  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.159  -1.444  -1.770  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.029  -0.946  -0.381  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.900  -0.358   0.250  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.335  -0.091   1.530  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        4.731   0.520   2.730  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.627  -0.498   1.656  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.067  -1.029   0.459  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -2.454   0.171  -1.084  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -2.703   0.751  -1.873  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -3.437  -0.471  -0.359  0.00  0.00    +0.223 C 
ATOM     20  O   LIG    1       -3.264  -1.234   0.583  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.834  -0.129  -0.874  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1       -5.939  -0.922  -0.173  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1       -6.522  -0.003   0.851  0.00  0.00    -0.269 N 
ATOM     24  C   LIG    1       -5.778   1.276   0.812  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -5.203   1.324  -0.596  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -7.233  -0.421   1.906  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1       -7.853  -0.775   2.817  0.00  0.00    -0.174 NA
ENDBRANCH  23  26
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4