REMARK  Name = BDB024051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.078   0.383   1.639  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.974   0.871   0.919  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.160   0.076   0.688  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.179  -1.211   1.213  0.00  0.00    +0.134 A 
ATOM      5  F   LIG    1        1.249  -1.993   1.023  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.892  -1.713   1.944  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.018  -0.919   2.158  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   8
ATOM      8  P   LIG    1        1.511   0.730  -0.237  0.00  0.00    +0.122 P 
ATOM      9  C   LIG    1        2.888   1.028   0.876  0.00  0.00    +0.093 C 
ATOM     10  C   LIG    1        4.179   1.146   0.088  0.00  0.00    +0.116 C 
ATOM     11  N   LIG    1        4.478  -0.086  -0.635  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1        3.472  -1.105  -0.893  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        2.183  -0.473  -1.388  0.00  0.00    +0.093 C 
ATOM     14  O   LIG    1        1.167   2.002  -0.980  0.00  0.00    -0.316 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.809  -0.378  -0.884  0.00  0.00    +0.218 A 
ATOM     16  N   LIG    1        6.138  -1.604  -1.325  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1        7.438  -1.861  -1.565  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        8.438  -0.943  -1.384  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        8.020   0.280  -0.931  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        6.731   0.579  -0.679  0.00  0.00    -0.223 NA
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -3.293   1.261   1.865  0.00  0.00    +0.195 C 
BRANCH  21  29
ATOM     22  O   LIG    1       -8.013  -1.279   0.408  0.00  0.00    -0.266 OA
ATOM     23  C   LIG    1       -6.970  -0.690   0.668  0.00  0.00    +0.272 A 
ATOM     24  C   LIG    1       -6.112  -0.140  -0.394  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.929   0.512  -0.047  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.124   1.051  -1.057  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.502   0.925  -2.398  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.682   0.266  -2.737  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.605   0.595   1.400  0.00  0.00    +0.102 A 
ATOM     30  N   LIG    1       -5.382   0.114   2.332  0.00  0.00    -0.172 NA
ATOM     31  C   LIG    1       -6.491  -0.267  -1.736  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1       -6.535  -0.500   1.957  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.118  -0.877   2.699  0.00  0.00    +0.192 HD
ENDBRANCH  21  29
BRANCH  21  34
ATOM     34  O   LIG    1       -3.337   1.569   3.257  0.00  0.00    -0.381 OA
ATOM     35  H   LIG    1       -4.163   1.163   3.587  0.00  0.00    +0.211 HD
ENDBRANCH  21  34
ENDBRANCH   1  21
TORSDOF 5