REMARK  Name = BDB006645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.171   2.553   1.808  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.930   1.262   1.123  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.724   0.652   0.795  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.265   0.796   0.933  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.206  -0.514   0.378  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.897  -1.319  -0.047  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.888  -2.450  -0.499  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.053  -0.532   0.203  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1        3.406  -0.602   0.119  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1        3.960   0.485   0.749  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.556  -0.880   0.370  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.524  -0.089   0.883  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.856  -0.491   0.841  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.281  -1.688   0.300  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.587  -1.783   0.414  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.042  -0.641   1.030  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.296  -2.561  -0.257  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.658  -3.887  -0.876  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -5.005   0.132   1.281  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -5.040   1.462   1.927  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.002  -2.155  -0.214  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.110   2.023   0.124  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.232   1.998  -1.277  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.581   3.152  -1.986  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.807   4.343  -1.303  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.237   5.762  -2.175  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.688   4.393   0.083  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.341   3.241   0.793  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        4.307  -1.503  -0.427  0.00  0.00    +0.153 A 
ATOM     30  N   LIG    1        4.095  -2.426  -1.418  0.00  0.00    -0.250 N 
ATOM     31  C   LIG    1        3.024  -2.534  -2.381  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        5.181  -3.206  -1.641  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1        6.121  -2.694  -0.847  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1        5.645  -1.613  -0.094  0.00  0.00    +0.069 A 
ENDBRANCH   9  29
TORSDOF 3