REMARK  Name = BDB026700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.813  -2.104   1.197  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.700  -2.874   0.833  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.546  -2.223   0.376  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.380  -2.772  -0.071  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.409  -1.764  -0.389  0.00  0.00    +0.149 A 
ATOM      6  N   LIG    1        0.229  -0.540  -0.168  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.500  -0.833   0.325  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.614  -0.047   0.669  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.765  -0.708   1.119  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.304   0.762  -0.397  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -0.069   1.788   0.530  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.610   3.064   0.320  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -0.304   4.202   1.253  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -1.430   5.223   1.268  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.877   5.595  -0.126  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.894   4.585  -1.051  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.324   4.812  -1.938  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -2.297   6.715  -0.405  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.371   3.309  -0.828  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.590   2.300  -1.762  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.065   1.024  -1.544  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.802  -1.950  -0.793  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -2.112  -2.613  -1.978  0.00  0.00    +0.152 A 
ATOM     24  F   LIG    1       -1.155  -3.048  -2.809  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -3.443  -2.785  -2.316  0.00  0.00    +0.153 A 
ATOM     26  N   LIG    1       -4.475  -2.344  -1.560  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1       -4.153  -1.721  -0.406  0.00  0.00    +0.215 A 
ATOM     28  C   LIG    1       -2.850  -1.504   0.017  0.00  0.00    +0.081 A 
BRANCH  27  29
ATOM     29  O   LIG    1       -5.147  -1.247   0.425  0.00  0.00    -0.480 OA
ATOM     30  C   LIG    1       -6.458  -1.542  -0.046  0.00  0.00    +0.279 C 
ENDBRANCH  27  29
ENDBRANCH   5  22
BRANCH   1  34
ATOM     31  C   LIG    1        7.475  -2.883   1.704  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        6.238  -2.211   1.395  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        6.261  -1.487   0.690  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        5.029  -2.816   1.677  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        4.925  -3.889   2.257  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 4