REMARK  Name = BDB045573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.882  -0.348   0.565  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        1.431  -0.955   1.670  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        0.928  -1.233   2.498  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.780  -1.108   1.472  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.014  -0.551   0.218  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.328  -0.549  -0.284  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        5.357  -1.108   0.499  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.082  -1.658   1.753  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        3.783  -1.668   2.269  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.828  -0.108  -0.325  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -2.268   1.125  -0.895  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -3.239   0.656   0.006  0.00  0.00    +0.204 A 
ATOM     13  C   LIG    1       -2.861  -0.091   1.130  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1       -1.520  -0.444   1.307  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -0.537  -0.010   0.408  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.928   0.782  -0.686  0.00  0.00    +0.061 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -1.749   2.468  -2.797  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.724   1.888  -1.940  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1       -4.563   0.961  -0.208  0.00  0.00    -0.488 OA
ATOM     20  C   LIG    1       -5.138   0.010  -1.106  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
BRANCH  13  21
ATOM     21  O   LIG    1       -3.709  -0.585   2.089  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -4.716   0.328   2.521  0.00  0.00    +0.277 C 
ENDBRANCH  13  21
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        4.627   0.046  -1.602  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        4.143   1.099  -1.988  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        5.505  -0.653  -2.390  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        5.593  -0.317  -3.341  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        5.693  -1.631  -2.221  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 5