REMARK  Name = BDB061842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.709   0.293   0.979  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -3.164  -0.783   0.263  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.030  -0.625  -0.559  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -1.435   0.652  -0.669  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -1.971   1.720   0.071  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.092   1.544   0.883  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.469  -1.824  -1.292  0.00  0.00    +0.418 C 
ATOM      8  F   LIG    1       -0.163  -2.055  -0.968  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.121  -2.989  -1.023  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.503  -1.679  -2.644  0.00  0.00    -0.166 F 
ENDBRANCH   3   7
BRANCH   1  11
ATOM     11  C   LIG    1       -4.923   0.109   1.851  0.00  0.00    +0.200 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.420   1.352  -0.214  0.00  0.00    +0.194 C 
ATOM     13  S   LIG    1       -6.412  -0.060   0.868  0.00  0.00    -0.030 S 
ATOM     14  O   LIG    1       -6.303  -1.252   0.047  0.00  0.00    -0.174 OA
ATOM     15  O   LIG    1       -7.537   0.095   1.774  0.00  0.00    -0.174 OA
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  C   LIG    1       -0.217   0.911  -1.528  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.984   0.437  -0.881  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        0.981  -0.518  -0.544  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.208   0.984  -1.208  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.336   1.953  -1.947  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.406   0.305  -0.638  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.619   0.414  -1.339  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.769  -0.220  -0.832  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.673  -0.931   0.364  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1        6.924  -1.442   0.631  0.00  0.00    -0.361 N 
ATOM     26  H   LIG    1        7.155  -2.002   1.440  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1        7.804  -1.079  -0.354  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1        4.481  -1.039   1.089  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        7.117  -0.320  -1.273  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        3.347  -0.403   0.568  0.00  0.00    +0.015 A 
ENDBRANCH  19  21
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6