REMARK  Name = BDB056319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.870  -0.863   0.554  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.521  -0.329   1.014  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.463   0.802   1.516  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.616  -1.123   0.841  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.690  -2.457   0.282  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.351  -3.410   0.239  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.106  -4.672  -0.372  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.121  -5.011  -0.928  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.146  -4.090  -0.889  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.750  -3.319   0.806  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.929  -2.844  -0.296  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.206  -2.034   1.453  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.010   0.219  -0.074  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.863   0.196   0.688  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.536   1.106   1.021  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.371  -0.730  -0.764  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.817   1.527   0.084  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.925   1.645  -0.960  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        3.232   2.988  -1.119  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        3.914   2.706   0.140  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.468   3.523   0.397  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.854  -0.517   1.352  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.636   0.515   0.526  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.369   0.939  -0.826  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.202   1.948  -1.392  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -2.994   2.425  -2.698  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -1.971   1.919  -3.487  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -1.148   0.928  -2.989  0.00  0.00    +0.016 A 
ATOM     29 BR   LIG    1       -1.710   2.575  -5.239  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1       -4.259   2.493  -0.660  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -4.532   2.068   0.632  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -1.350   0.451  -1.687  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -3.735   1.096   1.228  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -3.962   0.616   2.498  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -4.854   1.347   3.331  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6