REMARK  Name = BDB054838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.051  -0.586   0.135  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.213   0.238   0.233  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1        3.465   0.155   1.417  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.091  -0.107   1.388  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.427  -0.289   0.168  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1        2.168  -0.216  -1.018  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.541   0.047  -0.984  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1        8.435   1.035   0.332  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        7.586   1.835  -0.437  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        6.212   1.573  -0.468  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        5.659   0.511   0.267  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        6.527  -0.283   1.035  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        7.902  -0.026   1.068  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1       10.983   1.518   0.392  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        9.843   1.301   0.365  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1       -0.376  -2.367   0.212  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.110  -2.371   0.158  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1       -2.877  -1.238   0.075  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1       -4.148  -1.752   0.061  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1       -4.160  -3.067   0.128  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1       -2.840  -3.466   0.190  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.255  -0.807  -0.022  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -6.574  -1.293  -0.040  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.607  -0.383  -0.119  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1       -8.932  -0.687  -0.146  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       -9.514   0.631  -0.231  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1       -8.531   1.689  -0.253  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1       -7.380   0.971  -0.180  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1       -6.106   1.491  -0.165  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -5.036   0.591  -0.085  0.00  0.00    +0.017 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6