REMARK  Name = BDB048635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.267  -0.492  -0.954  0.00  0.00    +0.273 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.203   2.174  -2.011  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1        1.820   1.020  -1.305  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.175  -0.115  -0.848  0.00  0.00    +0.050 A 
ATOM      5  S   LIG    1        2.304  -1.148  -0.082  0.00  0.00    -0.069 S 
ATOM      6  C   LIG    1        3.574  -0.029  -0.407  0.00  0.00    +0.109 A 
ATOM      7  N   LIG    1        3.182   1.051  -1.057  0.00  0.00    -0.244 NA
BRANCH   6   8
ATOM      8  C   LIG    1        4.973  -0.276   0.005  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        5.383  -1.401   0.737  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.725  -1.580   1.099  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.695  -0.634   0.745  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        7.298   0.488   0.008  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.957   0.663  -0.351  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.143  -0.840   1.116  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        9.821  -1.556   0.176  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.831   0.327   1.266  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.302  -1.517   2.287  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  O   LIG    1       -0.989   0.453  -0.166  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.352   0.344  -0.143  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1       -2.994   1.314   0.627  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1       -4.403   1.320   0.738  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -5.210   0.370   0.091  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -6.623   0.618   0.383  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -6.785   1.715   1.211  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.502  -0.596  -0.678  0.00  0.00    +0.053 A 
ATOM     26 CL   LIG    1       -5.402  -1.799  -1.502  0.00  0.00    -0.083 Cl
ATOM     27  S   LIG    1       -5.322   2.450   1.647  0.00  0.00    -0.096 S 
ATOM     28  C   LIG    1       -3.106  -0.613  -0.796  0.00  0.00    +0.066 A 
BRANCH  23  29
ATOM     29  C   LIG    1       -7.812  -0.167  -0.117  0.00  0.00    +0.156 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -8.020  -1.503   0.556  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -8.688  -2.420   0.101  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.471  -1.623   1.779  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -7.715  -2.528   2.063  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8