REMARK  Name = BDB016978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900   0.543   0.043  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.592   0.731   1.376  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.636   1.202   1.389  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        1.136   1.323   0.123  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1        0.167   0.914  -0.750  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.385  -0.788  -0.045  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.180  -0.300   0.460  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.175   0.029  -0.438  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -2.317  -0.108  -1.783  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -3.495  -0.583  -2.240  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.551  -0.935  -1.422  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.399  -1.043   2.123  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.458  -1.138   0.912  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.567  -1.596   0.303  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.178  -1.783   1.047  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        2.448   1.835  -0.226  0.00  0.00    +0.178 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.539   0.878   0.179  0.00  0.00    +0.061 A 
ATOM     18  N   LIG    1        4.337   1.257   1.210  0.00  0.00    -0.258 NA
ATOM     19  C   LIG    1        5.314   0.403   1.589  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.541  -0.823   0.987  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.719  -1.198  -0.068  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.704  -0.340  -0.481  0.00  0.00    +0.025 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5