REMARK  Name = BDB003578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006  -1.835   0.626  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.243  -2.251   0.139  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.408  -1.588   0.568  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.353  -0.527   1.486  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.103  -0.156   1.999  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.058  -0.809   1.582  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.579   0.168   1.913  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -4.322   0.988   1.021  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.504   1.583   1.507  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -5.918   1.399   2.821  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1       -7.043   1.988   3.246  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.187   0.614   3.696  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -4.022  -0.002   3.243  0.00  0.00    +0.011 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.910   1.214  -0.424  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.914   2.606  -1.016  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -2.612   1.921  -0.743  0.00  0.00    +0.009 C 
ENDBRANCH   8  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     17  C   LIG    1        3.370  -2.474  -0.968  0.00  0.00    +0.132 C 
ATOM     18  N   LIG    1        2.128  -1.797  -0.619  0.00  0.00    -0.300 N 
ATOM     19  C   LIG    1        1.265  -2.465   0.255  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1        1.486  -3.572   0.733  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.839  -0.515  -1.283  0.00  0.00    +0.111 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.805   0.660  -1.016  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.095   0.611  -1.845  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.867   1.933  -1.760  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.671   2.673  -0.435  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.382   1.716   0.713  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.114   0.890   0.473  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  19
BRANCH   2  28
ATOM     28  S   LIG    1       -1.484  -3.586  -1.005  0.00  0.00    -0.005 S 
ATOM     29  O   LIG    1       -2.586  -3.163  -1.857  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1       -1.601  -4.797  -0.218  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -0.106  -3.746  -2.092  0.00  0.00    +0.200 C 
ENDBRANCH   2  28
TORSDOF 6