REMARK  Name = BDB015443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.806   1.653  -1.111  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.120   2.652  -0.750  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.440   3.434  -1.956  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.655   2.969  -2.907  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -1.238   1.737  -2.331  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.302  -0.947   1.152  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.204   0.530   1.228  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.775   1.094   1.072  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.153   0.687  -0.210  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.707  -0.571  -0.760  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.177  -1.508   0.368  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.751  -1.407   3.116  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -3.384  -1.594   2.466  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.368   2.527   0.376  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        2.205   3.705   0.245  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.846   2.165   1.677  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.321   1.146  -0.226  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.034  -0.141   0.240  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.781  -1.239  -0.209  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.843  -1.030  -1.122  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.587  -2.132  -1.571  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        4.290  -3.422  -1.127  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.247  -3.626  -0.228  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.136   0.275  -1.554  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.497  -2.542   0.230  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.385   1.362  -1.103  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4