REMARK  Name = BDB018718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960   0.360  -0.085  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.222  -0.784   0.246  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.144  -0.819  -0.016  0.00  0.00    +0.074 A 
ATOM      4  N   LIG    1       -0.906  -1.947   0.328  0.00  0.00    -0.281 N 
ATOM      5  H   LIG    1       -0.460  -2.801   0.635  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.276  -1.977   0.172  0.00  0.00    +0.242 C 
ATOM      7  C   LIG    1       -2.952  -0.623  -0.143  0.00  0.00    +0.128 C 
ATOM      8  C   LIG    1       -4.331  -0.826  -0.793  0.00  0.00    +0.151 C 
ATOM      9  N   LIG    1       -5.113   0.400  -0.427  0.00  0.00    -0.267 N 
ATOM     10  C   LIG    1       -4.452   1.048   0.735  0.00  0.00    +0.119 C 
ATOM     11  N   LIG    1       -2.098   0.231  -0.990  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -2.445   1.145  -1.261  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -3.330   0.104   1.151  0.00  0.00    +0.056 C 
ATOM     14  O   LIG    1       -2.895  -3.019   0.382  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1       -0.757   0.283  -0.630  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1       -0.081   1.396  -0.950  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        1.248   1.409  -0.675  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1        5.663  -0.459  -0.016  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.286  -0.547  -0.265  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.403   0.454   0.176  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        3.943   1.548   0.875  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.315   1.640   1.125  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.175   0.638   0.680  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        7.250  -2.335  -0.846  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        6.542  -1.494  -0.476  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH   1  20
BRANCH   9  26
ATOM     26  C   LIG    1       -6.370   0.636  -0.817  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1       -7.460   0.840  -1.145  0.00  0.00    -0.174 NA
ENDBRANCH   9  26
TORSDOF 3