REMARK  Name = BDB048739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.442   1.752   0.091  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.078   1.876  -0.286  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.884   3.233  -0.421  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -2.080   3.821  -0.131  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -2.304   4.811  -0.130  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1       -3.049   2.947   0.186  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.979  -0.831   0.921  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1       -4.568   0.464   0.739  0.00  0.00    -0.333 N 
ATOM      9  H   LIG    1       -5.113   1.312   0.842  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -3.245   0.443   0.381  0.00  0.00    +0.159 A 
ATOM     11  N   LIG    1       -2.796  -0.795   0.325  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -3.863  -1.591   0.658  0.00  0.00    +0.143 A 
BRANCH   7  14
ATOM     13  F   LIG    1       -6.377  -1.864   2.487  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1       -6.348  -1.190   1.313  0.00  0.00    +0.434 C 
ATOM     15  F   LIG    1       -6.950  -1.972   0.385  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.127  -0.089   1.469  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -0.108   0.848  -0.486  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        1.162   1.028  -0.888  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.105  -0.087  -1.072  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.357  -0.140  -0.408  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        4.218  -1.227  -0.683  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.469  -1.323  -0.048  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.880  -0.353   0.864  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.045   0.719   1.154  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.785  -2.190  -1.597  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        2.600  -2.162  -2.244  0.00  0.00    -0.262 NA
ATOM     27  C   LIG    1        3.800   0.825   0.528  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        1.795  -1.114  -1.966  0.00  0.00    +0.119 A 
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4