REMARK  Name = BDB028378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.148  -3.190  -2.865  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.018  -3.119  -1.966  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.642  -2.054  -1.173  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.473  -2.504  -0.476  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.672  -3.827  -0.923  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.215  -4.192  -1.847  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.210  -1.742   0.512  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.768  -0.497   0.182  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.462   0.244   1.147  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.624  -0.280   2.428  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.396   0.480   3.424  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.927   1.672   2.994  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.464   2.211   3.667  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.765   2.225   1.763  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.559   0.060   4.563  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.077  -1.524   2.763  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.062   1.577   0.880  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.369  -2.251   1.806  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.879   2.237  -0.485  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.994   1.869  -1.359  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        4.855   2.229  -0.941  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.107   0.857  -1.389  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.355  -0.774  -1.119  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.153  -0.397  -0.019  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -2.798   0.873   0.015  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.631   1.766  -1.080  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.277   3.025  -1.030  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.065   3.408   0.054  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.230   2.542   1.121  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.826   1.359  -2.171  0.00  0.00    +0.049 A 
ATOM     31 CL   LIG    1       -1.554   2.373  -3.550  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -3.607   1.295   1.101  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -1.200   0.112  -2.187  0.00  0.00    +0.032 A 
BRANCH  24  34
ATOM     34  C   LIG    1       -2.320  -1.318   1.077  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -2.467  -2.049   1.967  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 5