REMARK  Name = BDB028356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.561   0.421  -0.815  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.228   0.609  -0.188  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.783   1.916  -0.021  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.535   2.172   0.552  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.730   1.108   0.966  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.161  -0.217   0.814  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.648   3.030  -0.442  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.295   4.197  -0.320  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.867   2.682  -0.972  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.479   3.437  -1.265  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.421  -0.455   0.239  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -5.324   1.416  -1.168  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.341  -1.344   1.264  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1        1.033  -1.456   1.126  0.00  0.00    -0.212 N 
ATOM     15  C   LIG    1        1.399  -2.678   1.667  0.00  0.00    +0.155 A 
ATOM     16  C   LIG    1        2.766  -3.022   1.625  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.646  -2.172   1.082  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.120  -0.879   0.547  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1        0.363  -3.341   2.130  0.00  0.00    -0.234 NA
ATOM     20  N   LIG    1        1.865  -0.536   0.549  0.00  0.00    -0.164 NA
ATOM     21  C   LIG    1       -0.712  -2.527   1.883  0.00  0.00    +0.141 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.119   0.058  -0.045  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.412   0.189   0.475  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        6.312   1.086  -0.107  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.923   1.858  -1.201  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.631   1.744  -1.712  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.729   0.850  -1.133  0.00  0.00    +0.010 A 
ENDBRANCH  18  22
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1       -5.093  -0.987  -1.067  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.593  -1.545   0.192  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -6.333  -0.931   0.540  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -6.051  -2.435  -0.003  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 4