REMARK  Name = BDB003584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624  -0.485  -0.802  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.385  -1.450  -0.146  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.776  -1.263  -0.020  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -3.424  -0.135  -0.554  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -2.639   0.805  -1.236  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.259   0.631  -1.367  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.876   0.038  -0.418  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -5.452   1.242   0.022  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -6.821   1.453   0.169  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -6.967   2.788   0.633  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -5.697   3.301   0.744  0.00  0.00    +0.196 A 
ATOM     12  C   LIG    1       -7.706   0.406  -0.137  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -7.178  -0.812  -0.578  0.00  0.00    +0.001 A 
ATOM     14  O   LIG    1       -4.774   2.376   0.379  0.00  0.00    -0.462 OA
ATOM     15  C   LIG    1       -5.798  -0.989  -0.713  0.00  0.00    +0.012 A 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     16  C   LIG    1        1.231   1.388   0.485  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        1.671   0.343  -0.432  0.00  0.00    -0.300 N 
ATOM     18  C   LIG    1        0.827  -0.598  -1.024  0.00  0.00    +0.248 C 
ATOM     19  O   LIG    1        1.217  -1.512  -1.742  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.058   0.414  -0.905  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.987  -0.657  -0.292  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.183  -0.502   1.225  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.044   0.703   1.598  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        6.388   0.679   0.877  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        6.222   0.543  -0.633  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        5.356  -0.662  -0.998  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  18
BRANCH   2  27
ATOM     27  S   LIG    1       -0.715  -2.922   0.585  0.00  0.00    -0.005 S 
ATOM     28  O   LIG    1       -0.570  -3.899  -0.475  0.00  0.00    -0.170 OA
ATOM     29  O   LIG    1       -1.573  -3.216   1.724  0.00  0.00    -0.170 OA
ATOM     30  C   LIG    1        0.867  -2.574   1.284  0.00  0.00    +0.200 C 
ENDBRANCH   2  27
TORSDOF 5