REMARK  Name = BDB057073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.422   0.141   0.173  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.306   1.046  -0.437  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.631   0.848  -0.105  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.861  -0.082   0.210  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.911   1.914  -1.210  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.813   0.383  -0.328  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1        3.211   0.972   0.868  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1        1.740   1.318   0.610  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.007   0.239  -0.208  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.765  -1.090  -0.157  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.203  -0.914  -0.665  0.00  0.00    +0.087 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.773   1.890  -0.491  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        5.298   0.420  -0.401  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1        5.814  -0.277  -1.684  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        5.970  -0.242   0.819  0.00  0.00    +0.027 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -3.728   1.669  -0.434  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -3.605   2.971  -0.924  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -4.744   3.744  -1.214  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -6.016   3.189  -1.012  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -6.146   1.895  -0.512  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.008   1.142  -0.221  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.587   5.140  -1.765  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -5.704   5.906  -1.603  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.325   5.148  -3.101  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.577   5.838  -1.176  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  26
ATOM     26  C   LIG    1       -0.760  -0.542   1.427  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.413  -1.901   1.266  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -1.572  -2.531   0.020  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1       -2.183  -3.768  -0.018  0.00  0.00    +0.167 A 
ATOM     30  O   LIG    1       -2.413  -4.504  -1.137  0.00  0.00    -0.453 OA
ATOM     31  C   LIG    1       -3.053  -5.666  -0.571  0.00  0.00    +0.466 C 
ATOM     32  O   LIG    1       -3.203  -5.597   0.863  0.00  0.00    -0.453 OA
ATOM     33  C   LIG    1       -2.632  -4.391   1.121  0.00  0.00    +0.166 A 
ATOM     34  C   LIG    1       -2.496  -3.813   2.362  0.00  0.00    +0.050 A 
ATOM     35  C   LIG    1       -1.880  -2.558   2.431  0.00  0.00    +0.009 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6