REMARK  Name = BDB043090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.510  -0.159  -0.004  0.00  0.00    -0.301 NA
ATOM      2  C   LIG    1        2.154   0.392   0.196  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        1.223   0.114  -0.998  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        1.773   0.749  -2.282  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1        1.003   2.064  -2.394  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -0.379   1.748  -1.807  0.00  0.00    +0.077 C 
ATOM      7  C   LIG    1       -0.972   3.011  -1.176  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.447   2.905  -0.808  0.00  0.00    +0.004 C 
ATOM      9  C   LIG    1       -2.748   1.859   0.261  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1       -2.535   0.432  -0.240  0.00  0.00    +0.159 C 
ATOM     11  C   LIG    1       -1.066  -0.012  -0.116  0.00  0.00    +0.236 C 
ATOM     12  O   LIG    1       -0.763  -0.973   0.600  0.00  0.00    -0.274 OA
ATOM     13  C   LIG    1        3.289   0.957  -2.245  0.00  0.00    +0.021 C 
ATOM     14  N   LIG    1       -0.120   0.677  -0.848  0.00  0.00    -0.292 N 
ATOM     15  C   LIG    1        3.975  -0.115  -1.397  0.00  0.00    +0.085 C 
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -3.324  -0.513   0.551  0.00  0.00    -0.303 N 
ATOM     17  H   LIG    1       -2.793  -1.167   1.122  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -4.657  -0.740   0.306  0.00  0.00    +0.230 C 
ATOM     19  O   LIG    1       -5.295  -0.105  -0.533  0.00  0.00    -0.274 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -5.276  -1.866   1.161  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -4.913  -3.214   0.545  0.00  0.00    +0.034 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -6.750  -1.743   1.209  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -7.063  -1.510   0.261  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -7.169  -0.669   2.102  0.00  0.00    +0.101 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  10  16
BRANCH   1  25
ATOM     25  C   LIG    1        4.455   0.419   0.959  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.722  -0.424   1.172  0.00  0.00    +0.015 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.700  -2.614   1.950  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        5.421  -1.839   1.673  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6