REMARK  Name = BDB044009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381   0.870  -0.497  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.342   0.664   0.490  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        1.055   0.741   1.907  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        2.544   0.309  -0.093  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        2.300   0.197  -1.446  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        3.274  -0.220  -2.320  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1        3.074  -0.305  -3.306  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        4.537  -0.573  -1.893  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        4.855  -0.423  -0.435  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.154  -0.719   0.001  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.495  -0.540   1.339  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.545  -0.052   2.233  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.245   0.244   1.802  0.00  0.00    +0.011 A 
ATOM     14  O   LIG    1        5.378  -0.986  -2.687  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        3.872   0.041   0.470  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.979   0.576  -1.714  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1       -6.148  -0.205   0.385  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -4.720  -0.385   0.648  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -4.001   0.900   0.635  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.358   1.334  -0.695  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1       -2.034   0.741  -0.893  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -0.959   1.374  -0.252  0.00  0.00    +0.263 C 
ATOM     23  O   LIG    1       -1.139   2.340   0.490  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -2.017  -0.667  -1.282  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -2.650  -1.587  -0.236  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -4.176  -1.459  -0.189  0.00  0.00    +0.085 C 
ENDBRANCH   1  22
TORSDOF 1