REMARK  Name = BDB061848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.172   1.460  -1.659  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -2.004   0.317  -1.678  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -3.067   0.228  -0.757  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -3.304   1.237   0.188  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.464   2.355   0.204  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.409   2.460  -0.702  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.781  -0.805  -2.667  0.00  0.00    +0.418 C 
ATOM      8  F   LIG    1       -1.989  -0.421  -3.956  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -0.506  -1.293  -2.626  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.587  -1.885  -2.465  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.007   1.629  -2.609  0.00  0.00    +0.140 C 
BRANCH  11  13
ATOM     12  C   LIG    1        2.094   1.396  -1.346  0.00  0.00    +0.244 C 
ATOM     13  N   LIG    1        1.131   0.855  -2.172  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        1.064  -0.152  -2.257  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        2.097   2.570  -0.992  0.00  0.00    -0.270 OA
BRANCH  12  20
ATOM     16  N   LIG    1        6.032  -2.221   0.423  0.00  0.00    -0.347 N 
ATOM     17  C   LIG    1        5.111  -1.225   0.164  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.510  -1.538  -1.059  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.517  -0.681  -1.577  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        3.142   0.460  -0.850  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.769   0.756   0.364  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.102  -2.742  -1.526  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.758  -0.080   0.894  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        6.031  -3.142  -0.594  0.00  0.00    +0.087 A 
BRANCH  16  26
ATOM     25  C   LIG    1        6.216  -2.952   2.774  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        6.899  -2.295   1.587  0.00  0.00    +0.118 C 
ENDBRANCH  16  26
ENDBRANCH  12  20
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  27
ATOM     27  C   LIG    1       -4.448   1.124   1.163  0.00  0.00    +0.201 C 
BRANCH  27  28
ATOM     28  S   LIG    1       -5.916   1.839   0.444  0.00  0.00    -0.024 S 
ATOM     29  O   LIG    1       -5.740   3.276   0.355  0.00  0.00    -0.174 OA
ATOM     30  O   LIG    1       -6.307   1.055  -0.714  0.00  0.00    -0.174 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -7.281   1.631   1.631  0.00  0.00    +0.131 C 
ATOM     32  C   LIG    1       -7.628   0.193   1.920  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1       -6.981   1.042   2.980  0.00  0.00    +0.028 C 
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 8