REMARK  Name = BDB026731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.544  -3.027  -0.471  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.091  -1.915  -0.194  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -0.034  -1.738   0.603  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1       -0.568  -0.392   0.884  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1        0.583   0.659   0.871  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.242   0.647  -0.403  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        1.807  -0.627  -0.698  0.00  0.00    +0.207 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.746  -0.027  -0.018  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.703  -0.182  -1.413  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.796   0.177  -2.208  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.942   0.698  -1.616  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.285   1.142  -2.595  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.007   0.863  -0.236  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.915   0.503   0.559  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1        0.144   2.071   1.217  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        0.048   2.459   2.564  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.380   3.745   2.898  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.496   4.199   4.554  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -0.718   4.660   1.905  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.629   4.287   0.565  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.201   3.002   0.224  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -0.725  -2.907   1.142  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.911  -3.292   0.309  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.263  -4.746   0.116  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -1.740  -3.941  -1.041  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        3.270  -0.667  -0.227  0.00  0.00    +0.074 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.080   0.613  -0.464  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  O   LIG    1        5.374   0.437   0.123  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1        5.814  -0.303  -0.332  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
BRANCH  27  30
ATOM     30  C   LIG    1        4.242   1.010  -1.939  0.00  0.00    +0.187 C 
BRANCH  30  31
ATOM     31  O   LIG    1        3.013   1.301  -2.586  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1        2.449   1.786  -1.953  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 9