REMARK  Name = BDB042458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.614  -0.916  -1.266  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        1.924  -0.525   0.050  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.407  -0.563  -0.069  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -0.083  -1.880  -0.478  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.381  -2.334  -0.267  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.743  -3.463  -0.598  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.865  -2.757  -1.164  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        1.803  -1.959  -2.059  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        3.949  -1.445  -0.966  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1        4.141  -2.372  -1.339  0.00  0.00    +0.146 HD
BRANCH   9  14
ATOM     11  C   LIG    1        7.487   0.846  -0.625  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        6.248   1.491  -0.672  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        5.065   0.747  -0.797  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.088  -0.647  -0.903  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        6.337  -1.280  -0.820  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        7.524  -0.549  -0.695  0.00  0.00    +0.017 A 
BRANCH  11  17
ATOM     17  C   LIG    1        8.773   1.582  -0.491  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        9.863   1.033  -0.450  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1        9.748   3.694  -0.295  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        8.555   2.920  -0.426  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  21
ATOM     21  C   LIG    1       -2.342  -1.362   0.398  0.00  0.00    +0.102 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.767  -1.919   0.442  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.738  -0.928   1.034  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1       -4.663  -0.711   2.388  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -3.988  -1.217   2.951  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -5.468   0.152   3.099  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -5.319   0.282   4.307  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.493   0.889   2.319  0.00  0.00    +0.082 A 
ATOM     29  C   LIG    1       -6.588   0.670   0.928  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -7.566   1.368   0.183  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.421   2.267   0.845  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -8.314   2.474   2.219  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -7.729   1.184  -1.303  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -7.353   1.786   2.950  0.00  0.00    +0.136 A 
ATOM     35  F   LIG    1       -7.287   2.018   4.268  0.00  0.00    -0.205 F 
ATOM     36  C   LIG    1       -5.659  -0.284   0.301  0.00  0.00    +0.030 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7