REMARK  Name = BDB056055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.025  -1.050   3.597  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.641   0.523   0.511  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -3.148  -0.288   1.536  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.308  -0.793   2.532  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.937  -0.503   2.525  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -0.428   0.311   1.505  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.270   0.814   0.508  0.00  0.00    +0.009 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -3.900   2.400  -0.634  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1       -3.527   1.048  -0.536  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.036   0.178  -1.515  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.869   0.645  -2.540  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.213   1.996  -2.611  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.729   2.885  -1.655  0.00  0.00    +0.033 A 
BRANCH   8  15
ATOM     14  O   LIG    1       -2.513   4.105   0.009  0.00  0.00    -0.126 OA
ATOM     15  N   LIG    1       -3.436   3.353   0.351  0.00  0.00    +0.057 N 
ATOM     16  O   LIG    1       -4.021   3.369   1.442  0.00  0.00    -0.126 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1        0.183  -2.850   3.521  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.112  -3.024   2.066  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        1.887  -2.030   1.528  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        2.402  -2.640   0.414  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        2.001  -3.888   0.290  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        1.171  -4.138   1.365  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        3.276  -1.846  -0.440  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        3.617  -0.522  -0.117  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        4.445   0.169  -0.979  0.00  0.00    +0.167 A 
ATOM     26  O   LIG    1        4.866   1.452  -0.814  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        5.682   1.624  -1.992  0.00  0.00    +0.466 C 
ATOM     28  O   LIG    1        5.730   0.451  -2.831  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1        4.938  -0.400  -2.128  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        4.632  -1.694  -2.482  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        3.793  -2.420  -1.627  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6