REMARK  Name = BDB016979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.272  -1.312   2.124  0.00  0.00    -0.334 N 
ATOM      2  C   LIG    1        1.286  -0.694   1.443  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.158  -1.706   1.088  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.681  -2.915   1.560  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.556  -2.644   2.178  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.400  -1.560   0.327  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.007  -2.712  -0.054  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.154  -2.631  -0.756  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.746  -1.437  -1.112  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.117  -0.259  -0.718  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.927  -0.314   0.012  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.746   1.027  -1.094  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.777   1.155  -1.727  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.053   2.094  -0.660  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.579   2.860  -0.974  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.893  -0.668   2.703  0.00  0.00    +0.150 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.999  -0.444   1.675  0.00  0.00    +0.181 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.670   0.687   0.864  0.00  0.00    -0.377 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.509   0.830  -0.288  0.00  0.00    +0.175 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.916   1.346   0.075  0.00  0.00    +0.112 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.367   2.812  -1.820  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.830   1.674  -1.030  0.00  0.00    -0.306 NA
ATOM     23  C   LIG    1       -5.116   0.526  -1.886  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9