REMARK  Name = BDB045209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.223   1.219  -1.466  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.732   0.426  -0.812  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.643   0.993   0.079  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1       -1.613   2.322   0.325  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -0.688   3.080  -0.304  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.241   2.583  -1.195  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.578   0.241   0.736  0.00  0.00    -0.315 N 
ATOM      8  C   LIG    1       -3.602   0.872   1.566  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -4.676  -0.222   1.748  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -3.854  -1.511   1.627  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -2.805  -1.182   0.565  0.00  0.00    +0.107 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.837  -0.213   0.764  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1       -7.052  -0.803   1.151  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -8.144  -0.834   0.280  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -8.036  -0.281  -0.992  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.837   0.302  -1.394  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.744   0.333  -0.524  0.00  0.00    +0.004 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.234   0.599  -2.405  0.00  0.00    +0.151 C 
BRANCH  18  25
ATOM     19  C   LIG    1        4.375  -0.540   0.230  0.00  0.00    +0.042 C 
ATOM     20  N   LIG    1        4.494   0.614  -0.651  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        5.077   1.364  -0.300  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        3.474   0.997  -1.464  0.00  0.00    +0.182 C 
ATOM     23  N   LIG    1        3.480   2.166  -2.006  0.00  0.00    -0.272 NA
ATOM     24  H   LIG    1        4.337   2.657  -1.747  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        2.423   0.131  -1.697  0.00  0.00    -0.240 N 
ATOM     26  C   LIG    1        2.418  -1.175  -1.222  0.00  0.00    +0.224 C 
ATOM     27  O   LIG    1        1.475  -1.958  -1.362  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        3.695  -1.653  -0.573  0.00  0.00    +0.122 C 
ATOM     29  C   LIG    1        3.499  -0.156   1.444  0.00  0.00    +0.032 C 
BRANCH  19  31
ATOM     30  C   LIG    1        6.490  -0.004   1.657  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        5.801  -0.997   0.707  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        6.772  -1.311  -0.445  0.00  0.00    +0.009 C 
ENDBRANCH  19  31
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5