REMARK  Name = BDB015446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.084  -0.732   0.734  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.905  -0.546   1.860  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.280  -1.868   2.383  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.322  -2.769   1.610  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.238  -1.964   0.499  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.044   0.710  -0.976  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.116  -0.276  -1.581  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        0.637   0.135  -1.425  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.273   0.355  -0.010  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.188   1.340   0.613  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.667   0.920   0.441  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.457   1.306  -0.742  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.431   0.243  -1.119  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -2.032   0.683   2.102  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -1.438   1.986   1.885  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.723   0.407   3.349  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.207   0.413   0.790  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1       -2.984   1.003  -0.458  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.909   0.803  -1.478  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1       -3.632   1.497  -3.027  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.058   0.043  -1.255  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.292  -0.518   0.002  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.368  -0.329   1.031  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4