REMARK  Name = BDB056047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.911  -2.938   1.780  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.328  -0.682  -0.041  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.092  -0.827  -0.689  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.050  -1.555  -0.105  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.216  -2.158   1.148  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -1.450  -2.025   1.797  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.489  -1.294   1.211  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1       -5.513   1.571  -1.828  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.916   0.528  -2.531  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.879  -0.205  -1.949  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.421   0.090  -0.654  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -4.037   1.146   0.038  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.074   1.881  -0.543  0.00  0.00    +0.001 A 
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.581  -2.166   3.276  0.00  0.00    -0.061 S 
BRANCH  14  15
ATOM     15  C   LIG    1        2.376  -0.772   2.616  0.00  0.00    +0.278 A 
ATOM     16  O   LIG    1        2.804  -0.676   1.317  0.00  0.00    -0.411 OA
ATOM     17  C   LIG    1        3.356   0.578   1.291  0.00  0.00    +0.249 A 
ATOM     18  N   LIG    1        3.292   1.183   2.459  0.00  0.00    -0.106 NA
ATOM     19  N   LIG    1        2.664   0.304   3.318  0.00  0.00    -0.101 NA
BRANCH  17  20
ATOM     20  C   LIG    1        3.909   1.042   0.027  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        4.423   2.339  -0.067  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.943   2.763  -1.278  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        4.984   1.992  -2.384  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        4.486   0.744  -2.276  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        3.945   0.229  -1.109  0.00  0.00    +0.033 A 
ENDBRANCH  17  20
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5