REMARK  Name = BDB065369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.069  -1.345  -0.268  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -2.682  -2.414  -0.803  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -3.909  -2.461  -0.303  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -4.060  -1.405   0.559  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -2.887  -0.682   0.593  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.709  -1.014  -0.638  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.312  -1.781   0.200  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.761  -1.542  -0.237  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.241  -0.111   0.019  0.00  0.00    +0.001 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.689   0.129  -0.419  0.00  0.00    +0.011 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.710  -0.651   0.402  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.110  -0.259   0.006  0.00  0.00    +0.307 C 
ATOM     13  O   LIG    1        6.756  -0.815  -0.871  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.528   0.811   0.737  0.00  0.00    -0.465 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.172   2.451   1.297  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        7.846   1.266   0.409  0.00  0.00    +0.229 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  17
ATOM     17  C   LIG    1       -5.346  -1.178   1.268  0.00  0.00    +0.186 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.094  -0.138   0.588  0.00  0.00    -0.277 N 
ATOM     19  C   LIG    1       -5.966   1.171   0.974  0.00  0.00    +0.353 A 
ATOM     20  O   LIG    1       -5.232   1.492   1.907  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1       -6.682   2.111   0.292  0.00  0.00    -0.159 NA
ATOM     22  C   LIG    1       -7.400   1.752  -0.715  0.00  0.00    +0.218 A 
ATOM     23  N   LIG    1       -7.526   0.470  -1.135  0.00  0.00    -0.205 NA
ATOM     24  C   LIG    1       -6.868  -0.419  -0.487  0.00  0.00    +0.207 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -8.103   2.686  -1.397  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -8.274   3.524  -0.857  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -8.915   2.309  -1.866  0.00  0.00    +0.145 HD
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 12