REMARK  Name = BDB002628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.938   2.740   1.027  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.078   1.719   0.372  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1       -1.114   0.762   0.139  0.00  0.00    -0.259 N 
ATOM      4  H   LIG    1       -1.379  -0.043  -0.420  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.396   1.365  -0.287  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -4.545   2.159  -0.235  0.00  0.00    +0.091 A 
ATOM      7 CL   LIG    1       -4.607   3.675   0.601  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -5.691   1.682  -0.904  0.00  0.00    +0.081 A 
ATOM      9 CL   LIG    1       -7.171   2.602  -0.895  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -5.653   0.459  -1.586  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -7.000  -0.207  -2.432  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1       -4.468  -0.252  -1.579  0.00  0.00    +0.133 A 
ATOM     13  N   LIG    1       -3.346   0.165  -0.953  0.00  0.00    -0.247 NA
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.186   0.747   0.561  0.00  0.00    +0.165 A 
ATOM     15  S   LIG    1        0.876   1.990   1.495  0.00  0.00    -0.060 S 
ATOM     16  C   LIG    1        2.371   1.150   1.496  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1        2.248  -0.033   0.791  0.00  0.00    +0.098 A 
ATOM     18  N   LIG    1        0.981  -0.250   0.258  0.00  0.00    -0.223 NA
BRANCH  17  19
ATOM     19  C   LIG    1        3.341  -0.985   0.592  0.00  0.00    +0.090 A 
ATOM     20  N   LIG    1        3.304  -1.698  -0.561  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        4.296  -2.587  -0.779  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        5.340  -2.807   0.103  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.366  -2.075   1.282  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.354  -1.150   1.536  0.00  0.00    +0.030 A 
ENDBRANCH  17  19
ENDBRANCH   3  14
TORSDOF 3