REMARK  Name = BDB040774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.540   1.171  -2.145  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.539   2.211  -2.017  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.227   1.497  -3.139  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.583   0.257  -2.726  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.281  -0.338  -1.183  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        2.561   0.872  -1.204  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.918   1.849  -0.255  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        3.920   1.629   0.697  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        4.616   0.418   0.732  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        4.292  -0.555  -0.223  0.00  0.00    +0.025 A 
BRANCH   9  11
ATOM     11  C   LIG    1        5.720   0.205   1.755  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        5.609  -1.114   2.518  0.00  0.00    +0.227 C 
ATOM     13  O   LIG    1        4.546  -1.680   2.760  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        6.787  -1.639   2.998  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        6.703  -2.498   3.525  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        8.056  -1.131   2.878  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.014  -1.683   3.410  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        8.190   0.168   2.123  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        7.092   0.313   1.081  0.00  0.00    +0.026 C 
ENDBRANCH   9  11
BRANCH   5  21
ATOM     20  N   LIG    1        2.917  -2.258  -2.893  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        3.061  -1.389  -2.135  0.00  0.00    +0.101 C 
ENDBRANCH   5  21
ENDBRANCH   1   6
BRANCH   3  22
ATOM     22  N   LIG    1       -1.654   1.396  -3.016  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1       -2.133   1.237  -3.896  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.341   1.012  -1.926  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1       -3.655   0.709  -2.139  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1       -4.076   0.357  -0.882  0.00  0.00    +0.222 A 
ATOM     27  N   LIG    1       -3.110   0.437   0.009  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1       -1.988   0.860  -0.670  0.00  0.00    -0.093 NA
BRANCH  26  29
ATOM     29  C   LIG    1       -5.529  -0.085  -0.563  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1       -6.190   0.638   0.646  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -6.707  -0.714   1.065  0.00  0.00    -0.028 C 
ATOM     32  C   LIG    1       -6.842  -1.060   2.526  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -8.088  -1.891   2.123  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -8.159  -1.060   0.817  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -5.654  -1.416   0.234  0.00  0.00    +0.020 C 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6