REMARK  Name = BDB055879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.267   2.260   1.793  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.378   1.543   1.334  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -1.596   0.672   0.275  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1       -0.522  -0.180  -0.259  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1        0.872   0.462  -0.005  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.052   0.711   1.395  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        0.065   1.597   1.913  0.00  0.00    +0.207 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.657  -1.620   0.235  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.611  -2.676  -0.694  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.713  -4.004  -0.274  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.863  -4.293   1.079  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.988  -5.928   1.597  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.912  -3.264   2.015  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.809  -1.935   1.595  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1        2.033  -0.348  -0.554  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.755  -1.240   0.256  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.795  -1.998  -0.281  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.662  -3.093   0.724  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.134  -1.879  -1.626  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.427  -0.997  -2.442  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.382  -0.238  -1.911  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -2.923   0.578  -0.321  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.027   1.509  -1.491  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.128   1.319  -2.504  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.700   1.056  -2.893  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        0.584   3.040   1.848  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.915   3.204   2.571  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  O   LIG    1        2.312   4.570   2.536  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1        2.489   4.802   1.609  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7