REMARK  Name = BDB016503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.021   1.304  -0.548  0.00  0.00    +0.104 C 
ATOM      2  N   LIG    1       -2.816   0.797   0.093  0.00  0.00    -0.304 NA
ATOM      3  C   LIG    1       -3.036   0.332   1.471  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -3.339  -1.176   1.520  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -2.156  -2.008   1.364  0.00  0.00    -0.270 N 
ATOM      6  C   LIG    1       -1.314  -2.042   0.293  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1       -0.296  -2.916   0.610  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -0.663  -3.412   1.878  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1        0.861  -3.138  -0.232  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1        1.203  -2.093  -1.018  0.00  0.00    -0.242 NA
ATOM     11  C   LIG    1        2.315  -2.209  -1.784  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.079  -3.366  -1.840  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.706  -4.437  -1.030  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.670  -1.034  -2.636  0.00  0.00    +0.267 C 
ATOM     15  O   LIG    1        3.123  -1.231  -3.764  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        2.412   0.251  -2.197  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1        2.338   0.951  -2.931  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        2.335   0.727  -0.896  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        1.806   1.990  -0.470  0.00  0.00    +0.168 A 
ATOM     20  N   LIG    1        1.928   2.130   0.865  0.00  0.00    -0.165 NA
ATOM     21  N   LIG    1        2.485   0.979   1.272  0.00  0.00    -0.272 N 
ATOM     22  C   LIG    1        2.721   0.764   2.679  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1        1.200   3.005  -1.349  0.00  0.00    +0.266 C 
ATOM     24  O   LIG    1        1.488   3.065  -2.547  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        0.255   3.894  -0.875  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -0.083   4.505  -1.607  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -0.476   3.896   0.383  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1       -1.801   3.126   0.332  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1        2.780   0.124   0.257  0.00  0.00    +0.132 A 
ATOM     30  C   LIG    1        1.587  -4.321  -0.203  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -1.794  -2.868   2.342  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -1.636   1.655  -0.064  0.00  0.00    +0.085 C 
ENDROOT
TORSDOF 0