REMARK  Name = BDB042463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.060   2.144   0.025  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        3.547   0.205  -0.439  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        2.432  -0.527  -1.063  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        1.074   0.046  -0.589  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1        0.855   1.472  -0.910  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1        2.147   2.189  -1.015  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        3.300   1.630  -0.148  0.00  0.00    +0.120 C 
BRANCH   2  12
ATOM      8  C   LIG    1        7.388  -1.504   0.049  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1        7.021  -0.362   0.746  0.00  0.00    +0.142 A 
ATOM     10  F   LIG    1        7.879   0.220   1.597  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        5.754   0.204   0.584  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        4.803  -0.353  -0.285  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        5.195  -1.512  -0.978  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.466  -2.084  -0.820  0.00  0.00    +0.023 A 
BRANCH   8  16
ATOM     15  N   LIG    1        9.733  -2.565   0.337  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.687  -2.076   0.221  0.00  0.00    +0.102 C 
ENDBRANCH   8  16
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.527   1.691  -0.063  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.877   0.500   0.834  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.357   0.202   0.819  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -4.169   1.030   1.558  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.772   1.806   2.074  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.539   0.909   1.673  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -6.179   1.699   2.355  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -6.160  -0.216   0.934  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.332  -1.067   0.185  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -5.899  -2.137  -0.520  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.278  -2.355  -0.479  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -8.095  -1.506   0.267  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.535  -0.441   0.970  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -8.359   0.348   1.673  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -3.886  -0.832   0.146  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6