REMARK  Name = BDB003567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.626   1.033  -1.027  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.459  -0.362  -1.062  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.394  -0.980  -0.389  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.537  -0.197   0.294  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.380   1.194   0.346  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.691   1.800  -0.314  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.102   1.419  -1.379  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.755   1.677  -1.725  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.489   2.576  -2.776  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.524   3.203  -3.468  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.845   2.943  -3.120  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.134   2.056  -2.081  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.646   0.246   0.022  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.304   0.547  -0.337  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.227  -2.742  -0.498  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.181  -3.053  -0.640  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -1.158  -3.192  -1.520  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.822  -3.365   1.051  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.648  -0.774   1.064  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.933  -0.731   0.536  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        3.249  -0.332  -0.832  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.362  -1.228   2.168  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.014  -1.351   1.301  0.00  0.00    +0.115 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.723  -0.250   2.063  0.00  0.00    +0.058 C 
ATOM     25  C   LIG    1        5.851  -0.721   2.989  0.00  0.00    +0.167 C 
ATOM     26  O   LIG    1        5.356   0.123   4.061  0.00  0.00    -0.379 OA
ATOM     27  C   LIG    1        4.084   0.249   3.368  0.00  0.00    +0.167 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6