REMARK  Name = BDB024049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.310   1.225   1.267  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.735   0.368   0.314  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.155   0.846  -0.663  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.443   2.207  -0.672  0.00  0.00    +0.134 A 
ATOM      5  F   LIG    1       -1.261   2.718  -1.600  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.095   3.071   0.277  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.961   2.581   1.252  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  P   LIG    1       -0.820  -0.263  -1.865  0.00  0.00    +0.122 P 
ATOM      9  C   LIG    1       -2.347   0.300  -2.614  0.00  0.00    +0.093 C 
ATOM     10  C   LIG    1       -3.452   0.468  -1.585  0.00  0.00    +0.116 C 
ATOM     11  N   LIG    1       -3.706  -0.789  -0.869  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1       -2.602  -1.404  -0.124  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1       -1.446  -1.741  -1.048  0.00  0.00    +0.093 C 
ATOM     14  O   LIG    1        0.170  -0.666  -2.932  0.00  0.00    -0.316 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.907  -0.755  -0.130  0.00  0.00    +0.218 A 
ATOM     16  N   LIG    1       -5.069  -1.610   0.896  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1       -6.236  -1.584   1.568  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1       -7.264  -0.732   1.266  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -7.021   0.109   0.214  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1       -5.869   0.115  -0.483  0.00  0.00    -0.223 NA
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1        2.246   0.701   2.334  0.00  0.00    +0.093 C 
BRANCH  21  30
ATOM     22  O   LIG    1        5.753  -3.231   0.634  0.00  0.00    -0.266 OA
ATOM     23  C   LIG    1        5.007  -2.319   0.971  0.00  0.00    +0.273 A 
ATOM     24  C   LIG    1        5.287  -0.924   0.601  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        4.415   0.081   1.025  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.678   1.412   0.674  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.805   1.720  -0.092  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.662   0.705  -0.504  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        7.741   1.011  -1.235  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.241  -0.338   1.835  0.00  0.00    +0.074 A 
ATOM     31  N   LIG    1        3.004  -1.579   2.144  0.00  0.00    -0.175 NA
ATOM     32  C   LIG    1        6.416  -0.618  -0.165  0.00  0.00    +0.052 A 
ATOM     33  N   LIG    1        3.872  -2.532   1.713  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        3.664  -3.491   1.976  0.00  0.00    +0.192 HD
ENDBRANCH  21  30
ENDBRANCH   1  21
TORSDOF 4