REMARK  Name = BDB008480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174  -4.343  -1.460  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1       -0.592  -3.003  -1.104  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        0.241  -1.837  -1.291  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -0.627  -0.781  -0.628  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -1.722  -1.291  -0.031  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -1.663  -2.754  -0.274  0.00  0.00    +0.250 C 
ATOM      7  O   LIG    1       -2.438  -3.579   0.179  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.212   0.584  -0.660  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        0.042   1.449   0.450  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.451   2.677  -0.076  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        0.808   3.767   0.728  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        0.742   3.594   2.112  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        0.339   2.387   2.674  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1        1.174   4.904   3.144  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1        0.432   2.561  -1.447  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1        0.698   3.295  -2.089  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -0.010   1.306   1.854  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        0.018   1.307  -1.810  0.00  0.00    +0.092 A 
ENDBRANCH   4   8
BRANCH   5  19
ATOM     19  C   LIG    1       -2.790  -0.617   0.717  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -3.253  -1.151   1.929  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -4.265  -0.513   2.654  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.827   0.664   2.169  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.068   1.452   3.061  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -4.391   1.204   0.962  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.381   0.563   0.238  0.00  0.00    +0.010 A 
ENDBRANCH   5  19
BRANCH   3  26
ATOM     26  O   LIG    1        0.300  -1.663  -2.696  0.00  0.00    -0.367 OA
ATOM     27  H   LIG    1       -0.608  -1.834  -2.996  0.00  0.00    +0.212 HD
ENDBRANCH   3  26
BRANCH   3  28
ATOM     28  C   LIG    1        1.658  -2.045  -0.679  0.00  0.00    +0.095 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.638  -0.893  -0.767  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        3.082  -0.249   0.398  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.962   0.833   0.319  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.416   1.266  -0.923  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        5.484   2.611  -1.023  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        4.010   0.618  -2.087  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        3.127  -0.461  -2.008  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5