REMARK  Name = BDB016945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.147  -3.270  -0.162  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.823  -2.739   0.053  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.440  -1.417  -0.051  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.914  -1.431   0.275  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.328  -2.723   0.561  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.265  -3.475   0.418  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.356  -0.342  -0.416  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.880   0.502   0.570  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.770   1.532   0.232  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.149   1.692  -1.108  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.627   0.856  -2.095  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.731  -0.156  -1.751  0.00  0.00    +0.010 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -3.341   2.429   1.295  0.00  0.00    +0.191 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.651   2.010   1.654  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -4.799   1.135   1.256  0.00  0.00    +0.210 HD
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   4  16
ATOM     16  C   LIG    1        1.835  -0.295   0.324  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        1.351   0.935   0.019  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        2.201   1.981   0.059  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        3.535   1.871   0.397  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        4.021   0.603   0.710  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        3.164  -0.497   0.675  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.436   0.380   1.084  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        5.942  -0.687   1.372  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.158   1.515   1.082  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.055   1.218   1.343  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 6