REMARK  Name = BDB006673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.022   2.483  -1.132  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.635   1.101  -0.767  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.365   0.568  -0.567  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.069   0.905  -0.593  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.683  -0.417  -0.250  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.323  -1.413  -0.033  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1       -0.179  -2.587   0.258  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.558  -0.743  -0.247  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1       -2.897  -0.986  -0.241  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1       -3.571   0.158  -0.570  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.068  -0.612  -0.219  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.943   0.356  -0.562  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.317   0.178  -0.539  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.167   1.295  -0.926  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.911  -1.023  -0.163  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        6.123  -1.218  -0.141  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.966  -2.110   0.233  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.576  -3.407   0.661  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.641  -1.883   0.196  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.256   2.001   0.439  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.298   1.738   1.821  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.468   2.775   2.743  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.596   4.086   2.295  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.805   5.362   3.428  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.555   4.371   0.932  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.385   3.335   0.010  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.638  -2.129   0.023  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1       -5.010  -2.228  -0.007  0.00  0.00    -0.250 N 
ATOM     29  C   LIG    1       -6.003  -1.220  -0.305  0.00  0.00    +0.174 C 
ATOM     30  N   LIG    1       -5.452  -3.471   0.294  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1       -4.339  -4.166   0.520  0.00  0.00    +0.136 A 
ATOM     32  C   LIG    1       -3.182  -3.384   0.367  0.00  0.00    +0.069 A 
ENDBRANCH   9  27
TORSDOF 3