REMARK  Name = BDB002839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.985  -0.799   0.509  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -4.394  -1.185   0.079  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -5.377  -0.208   0.189  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -6.713  -0.515  -0.321  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -6.918   0.155  -1.681  0.00  0.00    +0.237 C 
ATOM      6  O   LIG    1       -7.865  -0.109  -2.417  0.00  0.00    -0.274 OA
ATOM      7  N   LIG    1       -6.067   1.197  -1.982  0.00  0.00    -0.254 N 
ATOM      8  H   LIG    1       -6.265   1.683  -2.846  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -5.286   1.879  -1.077  0.00  0.00    +0.237 C 
ATOM     10  O   LIG    1       -4.871   3.009  -1.325  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -5.100   1.223   0.292  0.00  0.00    +0.204 C 
ATOM     12  O   LIG    1       -4.651  -2.312  -0.342  0.00  0.00    -0.276 OA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -2.031  -1.996   0.511  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.646  -1.668   1.075  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.135  -0.664   0.224  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.551  -0.460   0.768  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.332   0.544  -0.083  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.717   0.876   0.480  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.672  -0.322   0.490  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.096   0.055   0.918  0.00  0.00    -0.000 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.715   1.468  -1.131  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        7.068   0.288  -0.243  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 10