REMARK  Name = BDB026735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.521   1.138   0.439  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.647   0.512  -0.168  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        0.384   1.064  -0.433  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1       -0.487   0.364  -1.389  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1       -0.427  -1.187  -1.227  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        0.929  -1.599  -1.464  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        1.873  -0.980  -0.589  0.00  0.00    +0.205 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.904   0.908  -1.574  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.922   0.741  -0.622  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.213   1.243  -0.847  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.503   1.920  -2.029  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.091   2.534  -2.305  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.510   2.106  -2.986  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.222   1.603  -2.760  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -0.964  -1.897   0.011  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -1.566  -3.159  -0.151  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -2.058  -3.870   0.947  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.804  -5.403   0.711  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.948  -3.349   2.230  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.342  -2.107   2.415  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.853  -1.391   1.316  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1        0.205   2.493  -0.170  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.519   2.704   1.127  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -0.230   3.927   1.963  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        0.190   2.567   2.451  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        3.237  -1.173  -1.280  0.00  0.00    +0.043 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.499  -0.978  -0.437  0.00  0.00    +0.031 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.556  -1.851   0.809  0.00  0.00    +0.156 C 
BRANCH  28  29
ATOM     29  O   LIG    1        5.856  -1.744   1.381  0.00  0.00    -0.395 OA
ATOM     30  H   LIG    1        5.858  -2.269   2.199  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 8