REMARK  Name = BDB048869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.821   0.601   1.062  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        1.312   1.263   2.295  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.059   0.443   2.600  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.421  -0.135   1.250  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.881  -0.176   0.503  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        4.349  -1.304  -2.928  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        5.272  -0.344  -2.231  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        4.847   0.345  -1.081  0.00  0.00    +0.081 A 
ATOM      9  C   LIG    1        5.737   1.229  -0.462  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.266   1.935   0.739  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        3.986   1.647   1.138  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        3.681   2.143   1.960  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        3.170   0.768   0.478  0.00  0.00    +0.137 A 
ATOM     14  O   LIG    1        5.968   2.735   1.348  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        7.027   1.440  -0.956  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.442   0.755  -2.094  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        3.547   0.133  -0.585  0.00  0.00    -0.229 NA
ATOM     18  C   LIG    1        6.570  -0.132  -2.728  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   4  19
ATOM     19  N   LIG    1       -1.091  -1.435   1.394  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.247  -1.405   2.309  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.457  -0.650   1.752  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -3.883  -1.229   0.394  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -2.682  -1.319  -0.560  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -1.506  -2.033   0.111  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.044  -0.461  -0.214  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -4.922   0.891  -0.580  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.003   1.577  -1.136  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -7.209   0.916  -1.327  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -8.246   1.576  -1.860  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.356  -0.418  -0.973  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -6.275  -1.106  -0.417  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3