REMARK  Name = BDB018882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.664   1.545  -1.133  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.331   1.296  -0.786  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        0.034   0.149  -0.067  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1       -1.217  -0.288   0.418  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -0.998  -1.511   1.210  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1        0.460  -1.935   1.014  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1       -2.419   0.399   0.290  0.00  0.00    +0.241 C 
ATOM      8  O   LIG    1       -2.529   1.474  -0.304  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.038  -0.763   0.279  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.373  -0.555  -0.074  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        2.669   0.621  -0.784  0.00  0.00    +0.022 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        3.437  -1.504   0.271  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        3.498  -2.769  -0.333  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.509  -3.678  -0.000  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        4.494  -5.217  -0.786  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        5.481  -3.326   0.941  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        6.755  -4.396   1.405  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        5.436  -2.067   1.543  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.423  -1.163   1.209  0.00  0.00    +0.010 A 
ENDBRANCH  10  12
BRANCH   1  23
ATOM     20  C   LIG    1        1.588   5.104  -2.435  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        1.229   3.853  -1.815  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        0.497   3.871  -1.117  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.068   2.761  -1.895  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.120   2.765  -2.525  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
BRANCH   7  25
ATOM     25  C   LIG    1       -3.660  -0.288   0.893  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -4.775   0.663   1.192  0.00  0.00    -0.258 N 
ATOM     27  C   LIG    1       -5.801   0.559   0.121  0.00  0.00    +0.117 C 
ATOM     28  C   LIG    1       -5.215  -0.392  -0.913  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -4.274  -1.269  -0.105  0.00  0.00    +0.034 C 
BRANCH  26  30
ATOM     30  C   LIG    1       -4.672   1.693   2.041  0.00  0.00    +0.170 C 
ATOM     31  N   LIG    1       -4.579   2.562   2.799  0.00  0.00    -0.174 NA
ENDBRANCH  26  30
ENDBRANCH   7  25
TORSDOF 4