REMARK  Name = BDB040569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.882  -0.332   1.647  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.506   0.845   1.227  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.760   0.812   0.601  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.386   2.348   0.099  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.440  -0.405   0.377  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.779  -1.586   0.776  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.440  -3.164   0.498  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.525  -1.548   1.400  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.816  -0.469  -0.284  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -5.855   0.440   0.369  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.907   0.642   1.580  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.809   0.974  -0.464  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.500   1.562  -0.018  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.062   0.647  -1.771  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.057   1.073  -2.351  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.109  -0.328  -2.419  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.724  -0.238  -1.797  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.476  -0.303   2.294  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.111  -1.668   1.031  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.511  -0.453   1.298  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.785   0.368   0.769  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.811  -2.687   1.651  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.773  -3.061  -0.265  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        3.127  -1.672  -0.125  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        2.397  -1.344  -1.439  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.151  -0.627   0.185  0.00  0.00    +0.242 A 
ATOM     27  O   LIG    1        5.227  -0.990   0.946  0.00  0.00    -0.337 OA
ATOM     28  N   LIG    1        6.002   0.157   1.110  0.00  0.00    -0.061 NA
ATOM     29  C   LIG    1        5.311   1.091   0.448  0.00  0.00    +0.175 A 
ATOM     30  N   LIG    1        4.151   0.652  -0.133  0.00  0.00    -0.195 NA
BRANCH  29  31
ATOM     31  C   LIG    1        5.790   2.564   0.352  0.00  0.00    +0.060 C 
ATOM     32  C   LIG    1        4.777   3.680   0.393  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        5.683   3.450   1.568  0.00  0.00    +0.012 C 
ENDBRANCH  29  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6