REMARK  Name = BDB017279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.540  -0.495   0.591  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -4.899  -0.987  -0.563  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.507  -0.882  -0.774  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.707  -0.250   0.195  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.317  -0.140  -0.006  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.716  -0.652  -1.163  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.520  -1.276  -2.124  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.324   0.261   1.340  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.899  -1.390  -1.932  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.709   0.143   1.525  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.497  -0.297   2.084  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -6.926  -0.597   0.772  0.00  0.00    -0.336 N 
ATOM     13  C   LIG    1       -7.677  -1.556  -0.037  0.00  0.00    +0.129 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  C   LIG    1        0.757  -0.561  -1.426  0.00  0.00    +0.167 C 
ATOM     15  O   LIG    1        1.188  -0.970  -2.505  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        1.680   0.042  -0.370  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1        3.117  -0.484  -0.559  0.00  0.00    +0.095 C 
ATOM     18  N   LIG    1        4.035   0.303   0.275  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        4.143   1.687  -0.220  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        2.894   2.184  -0.963  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1        1.616   1.579  -0.397  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1        5.345  -0.349   0.381  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.160   0.291   1.468  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1        7.628  -0.037   1.593  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        7.203   1.337   1.159  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 5