REMARK  Name = BDB053643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.725   2.058  -0.039  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        2.765   3.463   0.283  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        2.083   4.325  -0.522  0.00  0.00    -0.234 N 
ATOM      4  C   LIG    1        2.237   5.602  -0.052  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.035   5.556   1.071  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1        1.376   3.973  -1.597  0.00  0.00    -0.139 NA
ATOM      7  C   LIG    1        1.388   2.697  -1.826  0.00  0.00    +0.214 A 
ATOM      8  C   LIG    1        3.370   4.195   1.288  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1        2.044   1.741  -1.096  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.403   1.155   0.760  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        3.951   1.553   1.507  0.00  0.00    +0.155 HD
BRANCH  10  17
ATOM     12  C   LIG    1        4.017  -3.633   1.833  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        3.613  -2.321   1.285  0.00  0.00    +0.035 A 
ATOM     14  N   LIG    1        2.702  -2.193   0.276  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        2.187  -2.925  -0.203  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        2.498  -0.926  -0.103  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1        3.267  -0.190   0.700  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1        3.990  -1.031   1.589  0.00  0.00    +0.068 A 
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  S   LIG    1        0.490   2.150  -3.242  0.00  0.00    -0.048 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.706   1.081  -2.473  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -0.361  -0.210  -2.067  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -1.310  -1.051  -1.472  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.621  -0.615  -1.286  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -2.968   0.679  -1.703  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -2.019   1.519  -2.294  0.00  0.00    +0.017 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -3.637  -1.394  -0.695  0.00  0.00    -0.285 N 
ATOM     27  H   LIG    1       -4.540  -0.948  -0.617  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1       -3.543  -2.687  -0.222  0.00  0.00    +0.220 C 
ATOM     29  O   LIG    1       -2.552  -3.405  -0.235  0.00  0.00    -0.275 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -4.801  -3.254   0.364  0.00  0.00    +0.075 C 
ATOM     31  C   LIG    1       -5.786  -2.419   1.151  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -6.171  -2.954  -0.200  0.00  0.00    +0.013 C 
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 6