REMARK  Name = BDB028163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.613  -0.878  -1.007  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.423  -1.050  -0.135  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.594  -1.786   1.032  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.519  -2.000   1.900  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.265  -1.464   1.596  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.067  -0.706   0.430  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.924  -2.328   1.354  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.117  -2.986   2.370  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.924  -2.049   0.455  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.849  -2.412   0.662  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.164  -0.506  -0.429  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.788  -1.349  -0.704  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.251  -0.132   0.121  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.946   0.662   1.038  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.203   1.199   0.716  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.740   0.914  -0.556  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        4.982   1.444  -0.878  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.697   2.241   0.020  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.164   2.521   1.273  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1        3.091   0.153  -1.453  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        3.919   2.002   1.622  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.881  -0.346  -1.102  0.00  0.00    +0.120 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -3.489  -0.116  -2.324  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.471   1.321  -2.046  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.344   1.565  -1.571  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.496   1.828  -2.931  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3