REMARK  Name = BDB026776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   0.041   0.494  0.00  0.00    +0.213 C 
ATOM      2  C   LIG    1       -0.239  -0.517   1.546  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        0.151  -0.859   2.661  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.563  -0.644   1.126  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -1.887  -0.205  -0.240  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -1.121   1.111  -0.624  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        0.300   1.036  -0.424  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.372  -0.120  -0.581  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -3.853  -0.745  -1.745  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -5.203  -0.660  -2.097  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -6.086   0.055  -1.292  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -7.746   0.161  -1.728  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -5.631   0.684  -0.138  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.282   0.597   0.215  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.612   2.411  -0.001  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -2.383   3.300  -0.773  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -2.863   4.489  -0.223  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -3.815   5.550  -1.187  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.582   4.821   1.098  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.813   3.957   1.874  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.331   2.763   1.330  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.324  -1.119  -0.325  0.00  0.00    +0.137 C 
BRANCH  22  28
ATOM     23  C   LIG    1        6.913   0.653  -2.423  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1        6.316   0.506  -1.099  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1        5.031   1.221  -0.986  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        3.775   0.338  -1.108  0.00  0.00    +0.123 C 
ATOM     27  N   LIG    1        3.785  -0.792  -0.169  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        2.679  -1.534   0.204  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1        2.763  -2.515   0.943  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1        5.109  -1.201   0.315  0.00  0.00    +0.123 C 
ATOM     31  C   LIG    1        6.205  -0.920  -0.728  0.00  0.00    +0.103 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
BRANCH   4  32
ATOM     32  C   LIG    1       -2.395  -1.617   1.836  0.00  0.00    +0.112 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -2.317  -2.967   1.182  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -1.120  -3.863   1.384  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -2.437  -4.218   2.016  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   4  32
TORSDOF 6