REMARK  Name = BDB058515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.715  -0.677  -0.034  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.198  -0.770   1.251  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -1.186  -1.152   1.236  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.692  -1.322  -0.039  0.00  0.00    +0.075 A 
ATOM      5  S   LIG    1       -0.475  -1.051  -1.213  0.00  0.00    -0.083 S 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        4.720   0.262  -1.339  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1        3.619   1.050  -1.726  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.318   0.746  -1.310  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.074  -0.361  -0.493  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        3.156  -1.154  -0.103  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.458  -0.847  -0.519  0.00  0.00    +0.005 A 
BRANCH   6  13
ATOM     12  C   LIG    1        6.191   0.610  -3.355  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        6.138   0.631  -1.812  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1        7.235  -0.331  -1.304  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1        6.501   2.044  -1.310  0.00  0.00    +0.015 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.985  -0.516   2.451  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.634   0.698   2.664  0.00  0.00    +0.119 A 
ATOM     18  N   LIG    1        2.354   0.990   3.775  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        2.437   0.024   4.715  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        1.829  -1.216   4.600  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.088  -1.486   3.451  0.00  0.00    +0.011 A 
ENDBRANCH   2  16
BRANCH   4  22
ATOM     22  C   LIG    1       -3.032  -1.686  -0.485  0.00  0.00    +0.251 C 
ATOM     23  N   LIG    1       -4.020  -1.564   0.478  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1       -3.788  -1.161   1.373  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -3.301  -2.060  -1.625  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.416  -1.837   0.198  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.238  -0.589  -0.157  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -5.746   0.134  -1.415  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.682   1.291  -1.784  0.00  0.00    +0.081 C 
ATOM     30  N   LIG    1       -7.271   1.994  -0.637  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -8.195   1.604  -0.451  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.450   1.860   0.561  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.354   0.402   1.020  0.00  0.00    +0.020 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   4  22
TORSDOF 6