REMARK  Name = BDB050597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.239   1.055   1.165  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.871   0.709   0.494  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -2.148   1.425   0.555  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -3.023   0.713  -0.290  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -4.330   1.137  -0.466  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.743   2.278   0.218  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.878   2.988   1.060  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -6.003   2.709   0.067  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.318  -0.443  -0.874  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -2.560   2.561   1.235  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.057  -0.422  -0.402  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.986  -1.008   1.035  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.232  -0.968   2.212  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.009  -0.292   2.249  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.518   0.341   1.104  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        2.268   0.297  -0.076  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.491  -0.381  -0.112  0.00  0.00    +0.015 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.638  -0.624   0.371  0.00  0.00    +0.090 C 
ATOM     19  S   LIG    1        5.532  -1.898   1.034  0.00  0.00    -0.129 S 
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1       -2.988  -1.394  -1.809  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.186  -2.648  -2.110  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -1.775  -2.946  -3.221  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -1.981  -3.435  -1.027  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -2.333  -3.056  -0.199  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 5