REMARK  Name = BDB027173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.671   1.863  -1.737  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -1.800   1.669  -3.165  0.00  0.00    -0.152 OA
ATOM      3  O   LIG    1       -1.814   3.169  -1.127  0.00  0.00    -0.152 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.076   1.213  -1.246  0.00  0.00    +0.194 A 
ATOM      5  N   LIG    1       -0.078  -0.094  -0.868  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.123  -0.587  -0.478  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.312   0.148  -0.422  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.237   1.498  -0.803  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.027   2.049  -1.221  0.00  0.00    +0.049 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.576  -0.461   0.016  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1        4.349   0.126   1.032  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.549  -0.454   1.452  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.998  -1.633   0.862  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.249  -2.230  -0.148  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.048  -1.650  -0.567  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -2.802   0.850  -1.005  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1       -2.930  -0.026  -1.515  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  N   LIG    1       -4.207  -1.162   0.828  0.00  0.00    -0.268 N 
ATOM     19  C   LIG    1       -2.803  -0.675   0.963  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -2.843   0.779   0.471  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -4.216   1.231   0.944  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -5.104   0.018   0.690  0.00  0.00    +0.118 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -4.962  -3.453   1.462  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -4.615  -2.391   1.162  0.00  0.00    +0.169 C 
ENDBRANCH  18  24
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5