REMARK  Name = BDB031300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.792   1.262   1.263  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.553   0.070   1.125  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.664  -0.493   0.803  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.724  -1.489   0.950  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.506  -0.911   1.307  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1        1.380  -1.749   0.761  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.863   0.171   0.469  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -3.011  -0.627   0.328  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.184   0.010  -0.006  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -4.253   1.385  -0.206  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -5.566   1.707  -0.528  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -5.940   2.620  -0.730  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -6.330   0.531  -0.532  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1       -7.520   0.436  -0.772  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1       -3.153   2.194  -0.083  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1       -5.456  -0.516  -0.206  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -5.742  -1.479  -0.136  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -1.944   1.569   0.257  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.885  -0.557   1.576  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.707  -0.594   0.313  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.684   0.490  -0.577  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.423   0.452  -1.760  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.190  -0.670  -2.067  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.216  -1.756  -1.194  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.476  -1.721  -0.011  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 3