REMARK  Name = BDB012287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.695  -1.188  -0.921  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -0.464  -1.823  -0.472  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -0.475  -3.067  -1.075  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.691  -3.120  -1.843  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        1.407  -2.001  -1.762  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        2.820   1.845  -0.890  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.384   0.549  -1.165  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.166   0.138  -0.633  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        0.411   0.962   0.141  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        0.875   2.199   0.413  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        2.067   2.688  -0.076  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.118   1.601  -1.422  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        4.114   2.288  -1.443  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.051   3.518  -1.994  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.149   3.876  -2.098  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1       -1.449  -1.274   0.454  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.197  -1.259   1.831  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.154  -0.756   2.714  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.363  -0.277   2.221  0.00  0.00    +0.117 A 
ATOM     20  C   LIG    1       -3.634  -0.295   0.857  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.676  -0.798  -0.027  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  O   LIG    1       -4.269   0.205   3.119  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -5.061   0.490   2.636  0.00  0.00    +0.292 HD
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 5