REMARK  Name = BDB031607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254   0.274   0.796  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.052   0.967   1.513  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.202  -0.292   0.104  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.341  -1.317  -0.556  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.105   0.505   0.207  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        2.369  -0.327   0.028  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        3.451   0.144  -0.742  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        4.613  -0.637  -0.861  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.722  -1.856  -0.195  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.671  -2.310   0.594  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.383   1.451  -1.491  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        2.337   2.401  -0.918  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        2.507  -1.549   0.710  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.002   1.684  -0.775  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -6.665  -0.311   1.024  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.442  -0.406   0.991  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.678  -0.039   2.070  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.193   0.388   2.829  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.330   0.220   2.051  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.799   0.901   2.929  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.542  -0.399   0.893  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.359  -0.267  -0.389  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.703  -0.955  -0.206  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2