REMARK  Name = BDB017176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.640  -0.468   1.018  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.516  -0.839   2.185  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -2.993  -0.481  -0.047  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1       -1.859  -0.230   0.854  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1       -0.549  -0.409   0.062  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -0.586  -1.654  -0.845  0.00  0.00    +0.014 C 
ATOM      7  C   LIG    1       -1.700  -2.612  -0.436  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -3.068  -1.917  -0.375  0.00  0.00    +0.084 C 
BRANCH   3   9
ATOM      9  C   LIG    1       -4.268   0.015   0.489  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.730   2.526   0.259  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -4.661   1.378  -0.096  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        2.003  -0.079   0.531  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        2.272   0.251  -0.800  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.569   0.605  -1.188  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.613   0.635  -0.260  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.351   0.304   1.068  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.054  -0.051   1.459  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1        5.826   0.998  -0.776  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        6.922   1.043   0.129  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH   1  12
TORSDOF 5