REMARK  Name = BDB021274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.004  -0.333  -2.900  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.218  -0.308  -2.275  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.949  -0.286  -0.983  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.414  -0.246  -0.757  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.969  -0.190   0.534  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.189  -0.219   1.579  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.173  -0.263   1.367  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.794  -0.305   0.167  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -1.030  -0.310  -1.984  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.273  -0.340   0.117  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.028  -1.200   0.909  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        5.382  -1.273   0.900  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1        6.062  -0.464   0.051  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        5.382   0.411  -0.795  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.987   0.473  -0.762  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.569  -0.550   0.022  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        8.407   0.636   0.441  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        8.349  -0.578   1.317  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1       -0.260  -0.426  -5.478  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1       -0.121  -0.388  -4.325  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -2.334  -0.132   0.715  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.507  -0.315   1.704  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.044   1.099   0.370  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.487   0.992   0.773  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.351   0.037   0.243  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.091  -1.067  -0.713  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.531  -1.470  -1.028  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.388  -1.041   0.054  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.677  -0.035   0.653  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.207   0.826   1.593  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.367   1.802   2.126  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.029   1.878   1.714  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.252   2.830   2.252  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6