REMARK  Name = BDB017109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009  -0.152  -1.481  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.425  -0.284  -2.632  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.245  -0.113   0.513  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.667  -0.340  -0.739  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.274  -0.293  -0.918  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.444  -0.011   0.187  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.048   0.037   0.013  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.471  -0.192  -1.243  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.305  -0.469  -2.333  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.034   0.216   1.440  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.692  -0.520  -2.173  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.423   0.166   1.603  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.250   0.032   1.785  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.610  -0.191   0.534  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.961   0.061  -0.306  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.353  -0.508  -0.644  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.318  -0.077   0.375  0.00  0.00    -0.296 NA
ATOM     18  C   LIG    1       -3.536   1.376   0.343  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.368   2.169  -0.260  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.021   1.548   0.088  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.542  -0.889   0.362  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -5.396  -0.921  -0.911  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1       -6.723  -1.315  -0.514  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1       -6.782  -1.322   0.919  0.00  0.00    +0.161 C 
ATOM     25  C   LIG    1       -5.585  -0.536   1.411  0.00  0.00    +0.049 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4