REMARK  Name = BDB046879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.033   0.647  -0.418  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -3.821   1.049  -1.698  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -2.519   1.320  -1.768  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -1.845   1.098  -0.553  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.841   0.668   0.295  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -9.965  -0.523  -0.216  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -8.909  -0.175  -0.731  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -7.641  -0.156   0.023  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -6.477   0.255  -0.645  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -5.304   0.252   0.124  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -5.285  -0.127   1.448  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -6.439  -0.509   2.029  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -6.536   0.635  -2.002  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -7.664   0.603  -2.618  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -7.639  -0.542   1.363  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -8.833   0.217  -2.038  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -9.694   0.209  -2.565  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.396   1.286  -0.259  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.425   0.018  -0.556  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.876   0.202  -0.369  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.224   0.512   1.029  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        3.660   0.131   1.415  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        4.601   0.266   0.212  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        4.122  -0.629  -0.947  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        2.625  -0.954  -0.868  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1        6.055   0.009   0.563  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1        7.031   0.969   0.252  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        8.370   0.741   0.565  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        9.283   1.672   0.260  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        8.774  -0.432   1.184  0.00  0.00    +0.076 A 
ATOM     31  C   LIG    1        7.814  -1.385   1.489  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1        8.185  -2.526   2.083  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.468  -1.179   1.186  0.00  0.00    +0.042 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5