REMARK  Name = BDB019651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.281   0.869  -0.307  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        0.790   0.043  -0.310  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.544  -1.294  -0.390  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.725  -1.850  -0.473  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.823  -0.989  -0.485  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.587   0.391  -0.409  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.295   2.646   1.945  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.442   3.147   0.810  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1        0.027   2.300  -0.215  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        0.841   2.888  -1.189  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        1.177   4.199  -1.240  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1        0.688   4.980  -0.259  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -0.113   4.510   0.769  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.750  -2.184  -0.377  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        2.950  -1.509  -0.338  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.894  -0.502  -0.204  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.650  -3.405  -0.393  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.200  -2.197  -0.159  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.359  -1.275  -0.427  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.795  -1.052  -1.743  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.854  -0.177  -2.006  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        7.332   0.034  -3.653  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        7.483   0.490  -0.950  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        8.798   1.584  -1.196  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        7.047   0.282   0.361  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.989  -0.592   0.621  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -3.230  -1.523  -0.587  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.992  -1.099   0.571  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.502  -1.291   1.442  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -5.293  -1.420   0.725  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -6.103  -1.339  -0.361  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -5.926  -0.526  -0.936  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -7.464  -1.454   0.123  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -7.245  -2.023   1.528  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -5.816  -1.769   1.863  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7