REMARK  Name = BDB046118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173   0.002  -0.259  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.444   0.909   0.603  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.841   0.924   0.771  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -2.644   0.009   0.056  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.009  -0.894  -0.806  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.616  -0.900  -0.963  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -4.051   0.025   0.212  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -4.390   0.747   0.850  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -4.993  -0.795  -0.370  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -4.788  -1.749  -1.112  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -6.400  -0.521   0.021  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.988   0.750  -0.011  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1       -6.154   2.160  -0.559  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -8.323   0.912   0.378  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -9.069  -0.192   0.786  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1      -10.708   0.015   1.264  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -8.500  -1.463   0.803  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -7.169  -1.629   0.416  0.00  0.00    +0.016 A 
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  C   LIG    1       -2.354   1.945   1.728  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -1.680   2.771   2.316  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.686   1.903   1.933  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -3.823   2.638   2.572  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   3  19
BRANCH   1  23
ATOM     23  O   LIG    1        1.533   0.104  -0.318  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.219  -0.795  -1.190  0.00  0.00    +0.264 C 
BRANCH  24  28
ATOM     25  C   LIG    1        6.496  -0.155  -0.906  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        5.721  -0.249   0.248  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.338  -0.449   0.155  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        3.707  -0.546  -1.093  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1        4.491  -0.455  -2.248  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        5.871  -0.257  -2.151  0.00  0.00    +0.046 A 
BRANCH  25  31
ATOM     31  O   LIG    1        7.846   0.042  -0.966  0.00  0.00    -0.492 OA
BRANCH  31  33
ATOM     32  C   LIG    1        8.649   1.465   0.828  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        8.595   0.062   0.248  0.00  0.00    +0.225 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9