REMARK  Name = BDB061849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.698   2.670  -1.058  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.840   1.781  -0.618  0.00  0.00    -0.019 A 
ATOM      3  C   LIG    1        2.370   0.765  -1.445  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        3.428  -0.029  -0.961  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.954   0.156   0.327  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        3.409   1.155   1.139  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.362   1.951   0.675  0.00  0.00    +0.006 A 
BRANCH   3   8
ATOM      8  C   LIG    1        1.829   0.517  -2.836  0.00  0.00    +0.418 C 
ATOM      9  F   LIG    1        2.384  -0.562  -3.457  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        2.026   1.571  -3.675  0.00  0.00    -0.166 F 
ATOM     11  F   LIG    1        0.483   0.283  -2.843  0.00  0.00    -0.166 F 
ENDBRANCH   3   8
BRANCH   5  12
ATOM     12  C   LIG    1        5.088  -0.700   0.825  0.00  0.00    +0.201 C 
BRANCH  12  13
ATOM     13  S   LIG    1        6.645   0.008   0.302  0.00  0.00    -0.024 S 
ATOM     14  O   LIG    1        6.758  -0.096  -1.141  0.00  0.00    -0.174 OA
ATOM     15  O   LIG    1        6.865   1.261   0.997  0.00  0.00    -0.174 OA
BRANCH  13  16
ATOM     16  C   LIG    1        7.858  -1.146   1.034  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1        8.230  -2.320   0.170  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        9.184  -1.164   0.322  0.00  0.00    +0.028 C 
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.361   2.062   0.154  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1       -0.559   1.968  -0.962  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -0.823   1.369  -1.733  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.122   2.810   1.096  0.00  0.00    -0.270 OA
BRANCH  19  27
ATOM     23  N   LIG    1       -5.932  -1.248   0.117  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1       -4.927  -0.304   0.252  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -3.824  -0.780  -0.467  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.638  -0.016  -0.507  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.586   1.215   0.163  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -3.691   1.664   0.888  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -4.187  -2.031  -1.028  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -4.875   0.919   0.941  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -5.484  -2.293  -0.657  0.00  0.00    +0.087 A 
BRANCH  23  33
ATOM     32  C   LIG    1       -8.114  -0.047   0.138  0.00  0.00    +0.030 C 
ATOM     33  C   LIG    1       -7.281  -1.206   0.685  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -7.277  -1.250   2.213  0.00  0.00    +0.030 C 
ENDBRANCH  23  33
ENDBRANCH  19  27
ENDBRANCH   1  20
TORSDOF 8