REMARK  Name = BDB012662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.693   0.165   0.526  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.459   1.510   0.403  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.089   1.612   0.177  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.477   2.893   0.005  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.350   4.021   0.063  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.718   3.887   0.288  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.397   0.266   0.183  0.00  0.00    +0.153 A 
ATOM      8  C   LIG    1        2.302   2.629   0.462  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.595  -0.600   0.396  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -1.708  -0.021  -0.010  0.00  0.00    -0.296 N 
ATOM     11  H   LIG    1       -2.341   0.767  -0.159  0.00  0.00    +0.154 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.415  -1.244  -0.051  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -3.808  -1.291  -0.268  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -4.482  -2.522  -0.303  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -3.757  -3.681  -0.122  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -2.431  -3.691   0.088  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -1.800  -2.486   0.118  0.00  0.00    +0.134 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -4.670  -0.096  -0.474  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -5.874  -0.116  -0.660  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.014   1.082  -0.442  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -4.738   1.731  -0.594  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  22
ATOM     22  C   LIG    1        2.970  -0.481   0.774  0.00  0.00    +0.144 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.036  -1.490  -0.248  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        3.703  -0.813  -0.522  0.00  0.00    +0.020 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6