REMARK  Name = BDB028781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.069   0.807  -1.265  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.717   0.606   0.444  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -4.161   1.089   0.454  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -4.467   2.264   0.656  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -5.134   0.148   0.209  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -6.084   0.491   0.205  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.992  -1.214   0.137  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.971  -1.946   0.022  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.583  -1.755   0.172  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.656  -0.835   0.952  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        2.426   0.136  -0.543  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        1.684  -0.735  -1.354  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        0.320  -0.521  -1.571  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.329   0.561  -0.973  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        0.405   1.443  -0.178  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.770   1.230   0.039  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1        4.759   1.026  -0.890  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        3.908  -0.114  -0.325  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        4.228  -0.352   1.153  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 3