REMARK  Name = BDB021279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.209   0.278   0.905  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.392   0.820  -0.145  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.962   0.535  -0.105  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.553   1.204  -1.151  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.521   1.829  -1.808  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.544  -0.269   0.888  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.806  -0.741   1.853  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.678   1.583  -1.188  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.543  -0.458   1.828  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        4.715   1.034   0.537  0.00  0.00    -0.268 N 
ATOM     11  N   LIG    1        4.782   0.559   1.798  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.515   0.240   2.077  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        2.633   0.490   0.998  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.455   1.005   0.017  0.00  0.00    +0.117 A 
BRANCH  10  15
ATOM     15  C   LIG    1        5.922   1.505  -0.122  0.00  0.00    +0.177 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.608  -0.860  -0.822  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1        7.053   0.455  -0.175  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        8.240   1.032  -0.951  0.00  0.00    +0.043 C 
BRANCH  17  19
ATOM     19  O   LIG    1        7.535   0.166   1.144  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        6.742   0.053   1.716  0.00  0.00    +0.210 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -0.610   2.650  -2.976  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.720   3.307  -3.928  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.893  -0.546   0.875  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.120  -0.949   1.786  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.422  -1.453  -0.143  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.876  -1.726   0.115  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.847  -0.728   0.094  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.715   0.736  -0.100  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.188   1.099  -0.287  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.007   0.071   0.314  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.181  -1.022   0.351  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.615  -2.301   0.635  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.664  -3.320   0.645  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.318  -3.029   0.385  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.433  -4.036   0.408  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8