REMARK  Name = BDB059149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222   0.919   1.170  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.836   1.692   0.892  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1       -2.163   1.378   1.492  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1       -2.334   0.493   2.320  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -3.131   2.244   1.008  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -2.697   3.232   0.151  0.00  0.00    +0.121 C 
ATOM      7  S   LIG    1       -3.588   4.455  -0.552  0.00  0.00    -0.027 S 
ATOM      8  S   LIG    1       -0.972   3.058  -0.135  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        3.612   0.365   0.146  0.00  0.00    +0.136 A 
ATOM     10  O   LIG    1        2.405  -0.018   0.649  0.00  0.00    -0.455 OA
ATOM     11  C   LIG    1        1.548   1.063   0.674  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        2.267   2.152   0.195  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.568   1.708  -0.148  0.00  0.00    +0.050 A 
BRANCH   9  17
ATOM     14  C   LIG    1        6.610  -2.683  -0.167  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        6.889  -1.374  -0.566  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        5.907  -0.381  -0.463  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.631  -0.677   0.041  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        4.366  -1.998   0.438  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.345  -2.993   0.336  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1        8.430  -4.522  -0.360  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        7.614  -3.700  -0.273  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  22
ATOM     22  C   LIG    1       -4.527   2.031   1.404  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.381   1.355   0.317  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.787   0.080  -0.231  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -4.728  -1.077   0.555  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.149  -2.244   0.054  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.626  -2.266  -1.237  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.683  -1.122  -2.030  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.261   0.046  -1.531  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6