REMARK  Name = BDB026733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.496   2.988   0.345  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -0.791   2.000   0.559  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -1.219   0.691   0.243  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1       -0.605  -0.403   1.020  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1        0.922  -0.215   1.285  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.137   1.061   1.908  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        0.658   2.141   1.108  0.00  0.00    +0.207 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.917  -1.825   0.561  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.862  -2.213  -0.785  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.124  -3.533  -1.164  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.442  -4.481  -0.198  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.766  -6.105  -0.664  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.500  -4.122   1.145  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.236  -2.802   1.523  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1        1.943  -0.438   0.176  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        3.183  -1.015   0.509  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.160  -1.226  -0.465  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        5.662  -1.942  -0.027  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.929  -0.857  -1.786  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.716  -0.267  -2.132  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.735  -0.055  -1.159  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -2.634   0.579  -0.129  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.838   0.947  -1.572  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.204   0.782  -2.191  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.073  -0.102  -2.631  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        0.785   3.425   1.942  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.229   3.734   2.314  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  O   LIG    1        2.975   4.022   1.139  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1        3.893   4.182   1.418  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7