REMARK  Name = BDB064557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.379   1.417   2.159  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.735   0.941   3.317  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        1.516   0.264   3.202  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        0.927   0.052   1.942  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.569   0.525   0.791  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.966   0.305  -0.448  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.258  -0.375  -0.543  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -0.897  -0.597  -1.845  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -2.115   0.020  -2.246  0.00  0.00    +0.101 A 
ATOM     10  C   LIG    1       -2.663  -0.183  -3.525  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.988  -1.020  -4.382  0.00  0.00    +0.168 A 
ATOM     12  O   LIG    1       -2.369  -1.342  -5.644  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -1.286  -2.206  -6.052  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -0.314  -2.419  -5.003  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -0.818  -1.634  -4.016  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1       -3.019   1.089  -1.138  0.00  0.00    -0.002 S 
ATOM     17  O   LIG    1       -2.068   1.669  -0.212  0.00  0.00    -0.169 OA
ATOM     18  O   LIG    1       -3.882   1.921  -1.946  0.00  0.00    -0.169 OA
ATOM     19  C   LIG    1       -4.034  -0.066  -0.240  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1       -3.332  -0.747   0.933  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.134  -1.623   0.566  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1       -0.251  -1.444  -2.772  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1       -0.865  -0.840   0.586  0.00  0.00    -0.346 N 
ATOM     24  C   LIG    1       -0.287  -0.625   1.800  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1        2.792   1.207   0.907  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  27
ATOM     26  C   LIG    1        5.216   2.649   1.237  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.571   2.065   2.359  0.00  0.00    -0.491 OA
ENDBRANCH   1  27
BRANCH   2  28
ATOM     28  O   LIG    1        3.380   1.182   4.503  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        2.730   0.823   5.713  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
TORSDOF 2