REMARK  Name = BDB019683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430   1.495  -0.378  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.614   2.515   0.562  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.849   2.673   1.208  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -2.904   1.801   0.884  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.738   0.775  -0.061  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.496   0.646  -0.704  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.611   2.342  -1.179  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.903   1.356  -1.024  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.274   0.076  -1.378  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.746  -0.705  -1.013  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.602  -0.209  -1.872  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.502  -0.659  -0.750  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        4.159   0.288   0.052  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.974  -0.116   1.115  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        5.747   1.113   2.050  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        5.135  -1.478   1.388  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        6.124  -2.056   2.682  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        4.477  -2.427   0.600  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.662  -2.021  -0.460  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.053   3.790   2.205  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1       -0.921   4.116   2.885  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -2.983   3.485   3.153  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -2.486   4.936   1.613  0.00  0.00    -0.166 F 
ENDBRANCH   3  20
BRANCH   5  24
ATOM     24  C   LIG    1       -3.904  -0.125  -0.408  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.520  -1.525  -0.492  0.00  0.00    -0.332 N 
ATOM     26  C   LIG    1       -3.100  -2.306   0.547  0.00  0.00    +0.199 A 
ATOM     27  N   LIG    1       -2.806  -3.521   0.143  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -3.074  -3.532  -1.202  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -3.521  -2.301  -1.619  0.00  0.00    +0.107 A 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6