REMARK  Name = BDB006863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.393  -0.135   0.868  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.682   0.182   0.436  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.806   0.369   1.265  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.934   0.673   0.495  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -5.169   0.903   1.093  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -5.262   0.827   2.482  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.130   0.520   3.248  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -4.274   0.429   4.963  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.611   0.679  -0.980  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1       -4.315  -0.480  -1.697  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -3.968   2.013  -1.642  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -2.892   0.288   2.646  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.077   0.463  -0.956  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1       -0.106  -0.320   2.051  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.646  -0.277  -0.273  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.031  -0.116  -0.862  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1        2.034  -0.431   0.201  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1        2.302  -1.730   0.831  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.751  -1.783   1.404  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        4.053  -3.183   1.940  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1        4.811  -1.357   0.465  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        5.543  -2.062   0.401  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        4.266  -1.068  -0.861  0.00  0.00    +0.102 C 
BRANCH  16  24
ATOM     24  C   LIG    1        3.496   1.354  -0.692  0.00  0.00    +0.179 C 
BRANCH  24  26
ATOM     25  C   LIG    1        2.685   2.558  -2.578  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1        2.522   2.285  -1.193  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4