REMARK  Name = BDB006712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.664  -0.590   0.402  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.269   0.526   0.746  0.00  0.00    +0.149 C 
ATOM      3  C   LIG    1        1.596  -0.090   0.530  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.447  -1.397   0.087  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1        2.604  -2.019  -0.109  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1        3.520  -1.060   0.199  0.00  0.00    -0.265 N 
ATOM      7  C   LIG    1        2.947   0.129   0.631  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.720   1.313   1.073  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        0.050  -1.759  -0.018  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.387  -2.849  -0.357  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -4.564   2.118   1.883  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.012   0.870   1.242  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -4.862  -0.169   0.750  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -4.271  -1.284   0.188  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -5.321  -2.097  -0.183  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -6.459  -1.511   0.135  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -5.162  -3.416  -0.834  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -2.897  -1.450   0.066  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -2.053  -0.494   0.506  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -6.170  -0.301   0.722  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -2.673   0.694   1.119  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        0.216   1.738  -0.159  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        0.053   1.640  -1.550  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1       -0.062   0.439  -2.134  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        0.008   2.767  -2.363  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        0.131   4.020  -1.785  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        0.092   5.112  -2.558  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        0.298   4.161  -0.412  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        0.342   3.025   0.400  0.00  0.00    +0.011 A 
ENDBRANCH   2  22
BRANCH   6  30
ATOM     30  C   LIG    1        4.944  -1.371   0.070  0.00  0.00    +0.101 C 
ATOM     31  C   LIG    1        5.373  -2.421   1.093  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        5.299  -1.801  -1.354  0.00  0.00    +0.032 C 
ENDBRANCH   6  30
TORSDOF 3