REMARK  Name = BDB008485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.948  -2.198  -0.805  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.790  -0.993  -0.710  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.747  -0.027  -0.934  0.00  0.00    -0.264 N 
ATOM      4  C   LIG    1        1.287   1.263  -0.555  0.00  0.00    +0.238 C 
ATOM      5  C   LIG    1       -0.160   1.012  -0.268  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -0.470  -0.298  -0.321  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.689  -0.976  -0.044  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.331  -1.989  -0.821  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.509  -2.333  -0.151  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.405  -3.296  -0.634  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.085  -3.926  -1.840  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -2.922  -3.611  -2.536  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -5.156  -5.117  -2.475  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -3.566  -1.571   0.993  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -4.309  -1.617   1.677  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -2.040  -2.644  -2.038  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.476  -0.746   1.067  0.00  0.00    +0.092 A 
ENDBRANCH   6   7
BRANCH   5  18
ATOM     18  C   LIG    1       -1.056   2.132   0.060  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1       -0.669   3.113   0.985  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -1.516   4.185   1.285  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.754   4.288   0.656  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -3.796   5.605   1.027  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.151   3.331  -0.272  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.304   2.260  -0.571  0.00  0.00    +0.010 A 
ENDBRANCH   5  18
BRANCH   4  25
ATOM     25  O   LIG    1        1.461   2.118  -1.658  0.00  0.00    -0.370 OA
ATOM     26  H   LIG    1        1.077   1.643  -2.413  0.00  0.00    +0.212 HD
ENDBRANCH   4  25
BRANCH   3  27
ATOM     27  C   LIG    1        3.154  -0.323  -1.118  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.925  -0.295   0.181  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        3.816  -1.356   1.093  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        4.510  -1.323   2.305  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.313  -0.227   2.612  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        6.165  -0.183   4.106  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        5.429   0.835   1.718  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.736   0.803   0.506  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 5