REMARK  Name = BDB065366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.079  -0.793   0.168  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.778  -1.973  -0.399  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.879  -2.427  -0.982  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1        2.881  -1.513  -0.775  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1        2.385  -0.464  -0.030  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.060  -0.026   0.854  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.065  -0.289   2.361  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.003   0.510   3.115  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.277  -0.279   3.449  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.089  -0.778   2.259  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.719   0.357   1.489  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1       -3.102   1.098   0.734  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.046   0.450   1.771  0.00  0.00    -0.465 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -7.203   1.407   1.400  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -5.724   1.507   1.082  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1        4.240  -1.734  -1.337  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.493  -0.786  -2.425  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1        5.223   0.362  -2.151  0.00  0.00    +0.330 A 
ATOM     19  O   LIG    1        5.692   0.637  -1.049  0.00  0.00    -0.246 OA
ATOM     20  N   LIG    1        5.407   1.212  -3.212  0.00  0.00    -0.275 N 
ATOM     21  H   LIG    1        5.948   2.044  -3.033  0.00  0.00    +0.173 HD
ATOM     22  C   LIG    1        4.926   1.035  -4.476  0.00  0.00    +0.254 A 
ATOM     23  O   LIG    1        5.126   1.831  -5.386  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1        4.136  -0.188  -4.696  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        3.958  -1.030  -3.676  0.00  0.00    +0.096 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10