REMARK  Name = BDB046069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.311   0.326  -0.159  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        3.546  -0.253   0.131  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.782  -1.357   1.052  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1        5.064  -1.876   1.097  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1        5.086  -2.666   1.738  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1        6.186  -1.016   1.233  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1        6.912  -1.412   1.828  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1        6.764  -0.454   0.113  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1        5.924   0.301  -0.842  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        6.567   1.038  -1.853  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        5.835   1.872  -2.683  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        6.470   2.571  -3.633  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.459   2.025  -2.541  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        3.833   1.276  -1.538  0.00  0.00    +0.051 A 
ATOM     15  O   LIG    1        7.986  -0.482  -0.015  0.00  0.00    -0.266 OA
ATOM     16  O   LIG    1        2.902  -1.919   1.701  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        4.521   0.395  -0.701  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        2.514   1.240  -1.165  0.00  0.00    -0.353 N 
ATOM     19  H   LIG    1        1.777   1.782  -1.596  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  23
ATOM     20  C   LIG    1       -1.669  -0.324   1.274  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1       -0.967  -1.355   0.637  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        0.338  -1.148   0.180  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        0.963   0.090   0.352  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        0.261   1.125   0.981  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -1.044   0.920   1.437  0.00  0.00    +0.005 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -3.080  -0.538   1.768  0.00  0.00    +0.116 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.038   0.163   0.912  0.00  0.00    -0.312 NA
ATOM     28  H   LIG    1       -3.910  -0.162  -0.045  0.00  0.00    +0.122 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -5.411  -0.087   1.345  0.00  0.00    +0.081 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.423   0.682   0.488  0.00  0.00    +0.015 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -6.740  -1.128  -1.286  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -6.436   0.335  -1.004  0.00  0.00    -0.002 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 6