REMARK  Name = BDB028161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.172   0.676  -0.496  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.116  -0.262  -0.038  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.531  -1.439   0.577  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.593  -2.369   1.033  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.229  -2.117   0.870  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.218  -0.937   0.252  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.971  -1.695   0.743  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.379  -2.719   1.279  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.815  -0.724   0.264  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.813  -0.884   0.369  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.745  -0.013  -0.200  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.443   0.435  -0.342  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.654  -0.672   0.080  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.239   0.518   0.543  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        3.617   0.713   0.346  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        4.318  -0.298  -0.300  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        5.628   0.087  -0.388  0.00  0.00    -0.346 N 
ATOM     18  H   LIG    1        6.348  -0.475  -0.817  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.788   1.322   0.189  0.00  0.00    +0.085 A 
ATOM     20  N   LIG    1        3.833  -1.460  -0.770  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.556   1.734   0.654  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.499  -1.593  -0.554  0.00  0.00    +0.121 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.742   1.980  -1.176  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.908   2.788  -1.552  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.512   2.205  -2.137  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.472   2.926  -0.709  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3