REMARK  Name = BDB004692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.753   0.934   0.569  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.538   0.146   0.610  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1       -0.783  -0.751   1.661  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.968  -1.490   1.702  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -2.910  -1.344   0.686  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.681  -0.455  -0.363  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -1.496   0.283  -0.405  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  N   LIG    1       -4.133  -2.064   0.744  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1       -4.082  -3.056   0.976  0.00  0.00    +0.174 HD
BRANCH   8  10
ATOM     10  S   LIG    1       -5.437  -1.342   1.547  0.00  0.00    +0.072 S 
ATOM     11  O   LIG    1       -4.948  -0.580   2.675  0.00  0.00    -0.150 OA
ATOM     12  O   LIG    1       -6.420  -2.391   1.729  0.00  0.00    -0.150 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -6.077  -0.225   0.326  0.00  0.00    +0.108 A 
ATOM     14  C   LIG    1       -5.837   1.147   0.445  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -6.353   2.018  -0.514  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -7.110   1.520  -1.576  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.358   0.150  -1.682  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.845  -0.729  -0.728  0.00  0.00    +0.029 A 
ENDBRANCH  10  13
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        1.837   0.029   0.204  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.621  -0.463  -0.658  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1        6.580  -0.268  -0.745  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.458   0.504  -0.379  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        4.221  -0.160  -0.263  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.107   0.632   0.087  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        3.215   1.945   0.341  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        4.427   2.480   0.215  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1        4.138  -1.558  -0.484  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.256  -2.300  -0.839  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        5.542   1.833  -0.141  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        6.474  -1.655  -0.973  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1        8.130   1.642  -0.706  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        7.354   2.233  -0.423  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        9.054   2.035  -0.803  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        7.952   0.307  -0.915  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        8.907  -0.393  -1.236  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7