REMARK  Name = BDB034964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.757  -1.754  -1.378  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.279  -0.494  -0.713  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.986  -0.423  -0.194  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.624   0.799   0.410  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.343   0.887   0.932  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.551  -0.185   0.860  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        0.096  -1.340   0.243  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1       -2.442   1.866   0.506  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.676   1.769  -0.001  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.144  -1.478  -0.275  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.131   0.613  -0.616  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.512   2.885   0.105  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.348   2.639   0.626  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.793   3.191  -0.821  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.940  -0.092   1.430  0.00  0.00    +0.071 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.036  -0.169   0.393  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.884  -1.284   0.332  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.893  -1.354  -0.631  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.065  -0.312  -1.540  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.229   0.801  -1.489  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.220   0.874  -0.527  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3