REMARK  Name = BDB006230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.269  -0.520  -0.929  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.921  -0.777  -0.796  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.410  -0.155  -0.581  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        1.317  -1.329  -0.690  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1        0.630  -2.535  -0.981  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.075  -3.642  -1.235  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.765  -2.146  -1.011  0.00  0.00    +0.153 A 
ATOM      8  N   LIG    1       -1.914  -2.778  -1.223  0.00  0.00    -0.169 NA
ATOM      9  N   LIG    1       -2.818  -1.778  -1.137  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -3.796  -2.021  -1.256  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.728  -1.219  -0.528  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        3.509  -2.280  -0.037  0.00  0.00    +0.163 A 
ATOM     13  F   LIG    1        2.925  -3.400   0.415  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        4.893  -2.150   0.102  0.00  0.00    +0.078 A 
ATOM     15 CL   LIG    1        5.840  -3.450   0.722  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1        5.526  -0.956  -0.233  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        4.767   0.117  -0.693  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.380  -0.012  -0.832  0.00  0.00    +0.026 A 
ENDBRANCH   4  11
BRANCH   3  19
ATOM     19  C   LIG    1        0.406   0.472   0.801  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.607   1.858   0.934  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.627   2.462   2.193  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.454   1.688   3.337  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.477   2.435   4.886  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.264   0.314   3.233  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.244  -0.292   1.974  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  27
ATOM     26  C   LIG    1       -3.357   1.134   0.591  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -3.106   0.743  -0.875  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -2.385   1.894  -1.600  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -4.474   0.552  -1.566  0.00  0.00    +0.017 C 
ENDBRANCH   1  27
TORSDOF 3