REMARK  Name = BDB017261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185  -0.679   2.982  0.00  0.00    +0.196 C 
ATOM      2  O   LIG    1       -0.132  -0.293   4.153  0.00  0.00    -0.289 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        4.604   0.966  -1.099  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        4.489  -0.079  -0.178  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.338  -0.233   0.612  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.277   0.690   0.468  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.123   0.543   1.252  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.019  -0.521   2.148  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.071  -1.421   2.316  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.402   1.736  -0.458  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.224  -1.279   1.543  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.556   1.873  -1.237  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        5.958   2.040  -2.733  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.782   0.986  -1.796  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.465  -1.318   2.406  0.00  0.00    +0.141 C 
ATOM     16  C   LIG    1       -2.355  -0.262   1.715  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -1.981  -0.001   0.318  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -2.008  -1.225  -0.485  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -1.004  -2.241   0.058  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -1.251  -2.559   1.531  0.00  0.00    +0.045 C 
BRANCH  15  21
ATOM     21  O   LIG    1       -2.186  -1.787   3.576  0.00  0.00    -0.379 OA
ATOM     22  H   LIG    1       -1.927  -1.192   4.311  0.00  0.00    +0.211 HD
ENDBRANCH  15  21
BRANCH  17  23
ATOM     23  C   LIG    1       -2.732   1.103  -0.288  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.199   0.856  -0.484  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.732   0.251  -1.760  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.969   1.705  -1.466  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  15
TORSDOF 6