REMARK  Name = BDB051773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.759  -1.014  -2.023  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.554  -1.617  -1.633  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.327  -1.087  -2.056  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.303   0.009  -2.913  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.854   0.502  -3.376  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.491   0.610  -3.318  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.714   0.102  -2.874  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.914  -1.762  -1.632  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -1.915  -1.031  -0.996  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.165  -1.718  -0.674  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -4.336  -0.745  -0.592  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.113   0.370   0.457  0.00  0.00    +0.025 C 
ATOM     13  N   LIG    1       -4.967   0.193   1.651  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1       -4.626  -0.878   2.571  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -5.080   1.490   2.318  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.055   2.502   1.182  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -4.728   1.687  -0.065  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -2.604   0.561   0.768  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -1.749   0.328  -0.475  0.00  0.00    +0.110 C 
ATOM     20  O   LIG    1       -0.988  -2.974  -1.831  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1        4.084  -1.588  -1.574  0.00  0.00    +0.092 C 
BRANCH  21  31
ATOM     22  C   LIG    1        3.623  -0.993   1.321  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        4.700  -0.243   0.597  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1        5.478   0.711   1.146  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.383   1.246   2.546  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1        6.558   1.343   0.333  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        7.297   2.205   0.797  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        6.684   0.903  -0.954  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        7.416   1.324  -1.516  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        5.905  -0.025  -1.559  0.00  0.00    -0.175 NA
ATOM     31  C   LIG    1        4.966  -0.572  -0.847  0.00  0.00    +0.069 A 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 3