REMARK  Name = BDB020855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.132  -0.261  -0.697  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.357   0.151  -1.815  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.010   0.071  -1.698  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.505   0.547  -2.878  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.515   0.869  -3.680  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.662  -0.401  -0.551  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.944  -0.769   0.477  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.662   0.617  -3.010  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.430  -0.686   0.378  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.361   0.042  -0.208  0.00  0.00    -0.177 NA
ATOM     11  C   LIG    1        4.751   0.980  -1.195  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1        3.254   1.116  -0.898  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1        2.593  -0.224  -0.663  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1        3.339  -1.325  -0.450  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        4.841  -1.336  -0.394  0.00  0.00    +0.136 C 
BRANCH  10  16
ATOM     16  S   LIG    1        7.054   0.157  -0.100  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        7.405   1.558  -0.009  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        7.614  -0.682  -1.138  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.656   0.054   2.631  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        7.408  -0.594   1.486  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -3.040  -0.457  -0.539  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.513  -0.539  -1.432  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.750  -1.134   0.534  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.215  -0.823   0.434  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.733   0.427   0.762  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.041   1.663   1.203  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.254   2.480   1.647  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.432   1.979   0.974  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.089   0.699   0.629  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.986  -0.242   0.166  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.492  -1.504  -0.163  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.125  -1.782  -0.029  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.684  -3.000  -0.375  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6