REMARK  Name = BDB030629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.172  -0.225  -0.229  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1        2.310   0.919   0.252  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        0.822   0.867   0.122  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.422  -0.258   0.961  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -0.867  -0.735   1.168  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1       -1.057  -1.683   1.936  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.525  -0.847   1.704  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1        2.740  -0.132   1.216  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        8.120  -0.439  -0.235  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        6.774   0.005  -0.630  0.00  0.00    +0.214 A 
ATOM     11  O   LIG    1        5.713  -0.572   0.012  0.00  0.00    -0.425 OA
ATOM     12  C   LIG    1        4.654   0.058  -0.587  0.00  0.00    +0.221 A 
ATOM     13  N   LIG    1        5.032   0.929  -1.499  0.00  0.00    -0.112 NA
ATOM     14  N   LIG    1        6.411   0.896  -1.527  0.00  0.00    -0.113 NA
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -2.016  -0.112   0.469  0.00  0.00    +0.147 A 
ATOM     16  N   LIG    1       -1.945   0.943  -0.366  0.00  0.00    -0.169 NA
ATOM     17  N   LIG    1       -3.211   1.159  -0.755  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -3.389   1.921  -1.400  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -4.115   0.292  -0.211  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.369  -0.544   0.590  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.579   0.362  -0.514  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -6.060  -0.924  -1.187  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.387   0.644   0.752  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   5  15
TORSDOF 3