REMARK  Name = BDB006878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.916   0.338  -1.535  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        2.547   0.142  -1.320  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.162  -0.736  -0.321  0.00  0.00    +0.042 A 
ATOM      4  N   LIG    1        0.862  -1.084   0.091  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        0.963  -2.109   1.146  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1        2.466  -2.346   1.439  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1        2.848  -3.810   1.198  0.00  0.00    +0.017 C 
ATOM      8  C   LIG    1        2.818  -1.930   2.872  0.00  0.00    +0.017 C 
ATOM      9  C   LIG    1       -0.319  -0.543  -0.412  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -0.347   0.370  -1.238  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.116  -1.429   0.430  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        4.478  -1.242   0.211  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.881  -0.347  -0.780  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  14
ATOM     14  S   LIG    1        4.433   1.474  -2.801  0.00  0.00    -0.003 S 
ATOM     15  O   LIG    1        5.875   1.618  -2.698  0.00  0.00    -0.169 OA
ATOM     16  O   LIG    1        3.828   1.016  -4.037  0.00  0.00    -0.169 OA
BRANCH  14  18
ATOM     17  C   LIG    1        4.147   3.550  -1.008  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        3.700   3.036  -2.361  0.00  0.00    +0.168 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -1.612  -1.179   0.150  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.838  -0.479  -0.301  0.00  0.00    -0.286 NA
ATOM     21  C   LIG    1       -3.257   0.632   0.606  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -4.621   1.247   0.156  0.00  0.00    +0.102 C 
ATOM     23  N   LIG    1       -5.707   0.258   0.010  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -5.878  -0.160   0.924  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -5.266  -0.793  -0.923  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -6.371  -1.843  -1.037  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -3.941  -1.450  -0.463  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     28  C   LIG    1       -2.227   1.782   0.724  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -2.672   2.735   1.699  0.00  0.00    -0.381 OA
ATOM     30  C   LIG    1       -1.797   3.854   1.766  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 6