REMARK  Name = BDB040505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.488   1.399   0.573  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.158   0.608   1.510  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.439   0.107   1.247  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.164  -0.826   2.514  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.096   0.369   0.025  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.412   1.183  -0.904  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.093   1.655  -2.426  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.128   1.680  -0.636  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.486  -0.203  -0.250  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.585  -0.964  -1.570  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.675  -1.658  -2.019  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.797  -0.909  -2.217  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.856  -1.428  -3.083  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.984  -0.415  -1.739  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.034  -0.585  -2.352  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.938   0.259  -0.390  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.572   0.872  -0.126  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.906   1.894   0.850  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.437   0.089   1.581  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.868   0.853   0.585  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.136   0.670  -0.379  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.180   0.289   2.768  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.942  -1.776   2.335  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        3.343  -1.064   1.105  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.482  -2.093   0.345  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.438  -0.522   0.190  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        5.715  -0.514   0.624  0.00  0.00    -0.238 NA
ATOM     28  C   LIG    1        6.657  -0.031  -0.216  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        6.377   0.445  -1.474  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1        5.052   0.403  -1.837  0.00  0.00    +0.133 A 
ATOM     31  N   LIG    1        4.070  -0.065  -1.033  0.00  0.00    -0.238 NA
BRANCH  29  32
ATOM     32  C   LIG    1        7.386   0.947  -2.339  0.00  0.00    +0.102 C 
ATOM     33  N   LIG    1        8.206   1.359  -3.049  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6