REMARK  Name = BDB041291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.809  -0.352  -0.326  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.131   0.532  -1.195  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.272   0.486  -1.269  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.891   1.405  -2.120  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -1.225   2.301  -2.882  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.122   2.334  -2.827  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.968  -0.459  -0.482  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.324  -1.291   0.361  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        0.770   1.479  -2.004  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.025  -1.226   0.419  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.217   1.341   1.694  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.953   0.412   0.764  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1        2.272  -0.382  -0.184  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.020  -1.224  -1.026  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.413  -1.279  -0.941  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.095  -0.489  -0.012  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        4.354   0.348   0.837  0.00  0.00    +0.009 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.606  -0.549   0.095  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.257   0.762  -0.067  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        7.138   1.254  -1.442  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        8.670   0.669   0.305  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  N   LIG    1       -3.373  -0.528  -0.560  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.640  -0.707  -1.525  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.983  -1.524   0.319  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.479  -1.431   0.198  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.194  -0.322   0.642  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.709   0.951   1.228  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.040   1.515   1.725  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.119   0.912   0.974  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.574  -0.253   0.502  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.306  -1.266  -0.082  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.614  -2.393  -0.527  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.221  -2.466  -0.385  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.594  -3.562  -0.838  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6