REMARK  Name = BDB048642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -0.016  -1.271  0.00  0.00    +0.273 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.391   0.259  -0.713  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.849   1.369  -0.026  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.061   2.573   0.348  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1        3.183   1.314   0.341  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        3.736   0.178  -0.043  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        2.663  -0.873  -0.888  0.00  0.00    -0.069 S 
BRANCH   6   8
ATOM      8  C   LIG    1        5.151  -0.172   0.213  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        5.727  -1.401  -0.148  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        7.074  -1.675   0.122  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.883  -0.731   0.768  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        7.320   0.500   1.125  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.974   0.770   0.854  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.340  -1.020   1.037  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       10.139  -0.661  -0.005  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.826  -0.362   2.126  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.589  -2.341   1.261  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.859  -0.047  -0.159  0.00  0.00    -0.487 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -2.465   0.113   2.077  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.035  -0.112   0.702  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -2.199  -0.186  -0.417  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.745  -0.394  -1.688  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -4.144  -0.521  -1.826  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.006  -0.450  -0.732  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1       -6.391  -0.610  -1.127  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -6.509  -0.787  -2.491  0.00  0.00    +0.050 A 
ATOM     27  S   LIG    1       -5.009  -0.772  -3.293  0.00  0.00    -0.096 S 
ATOM     28  C   LIG    1       -4.427  -0.241   0.545  0.00  0.00    +0.016 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.558  -0.593  -0.183  0.00  0.00    +0.156 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.880   0.801   0.288  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -7.585   1.282   1.371  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.553   1.530  -0.625  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -8.657   2.408  -0.201  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 8