REMARK  Name = BDB065035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.455  -0.961  -1.380  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.294  -0.983  -0.255  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.473  -1.757  -0.222  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1       -2.791  -2.509  -1.363  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -1.962  -2.493  -2.485  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.798  -1.722  -2.494  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.383  -1.753   1.017  0.00  0.00    +0.139 C 
ATOM      8  O   LIG    1       -4.435  -2.734   0.834  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -5.642  -2.646   1.443  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -6.453  -3.563   1.411  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -5.942  -1.476   2.074  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -6.835  -1.490   2.552  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -5.034  -0.387   2.274  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -3.992  -0.356   1.184  0.00  0.00    +0.071 C 
ATOM     15  C   LIG    1       -2.579  -2.208   2.250  0.00  0.00    +0.061 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1        1.671   0.036  -2.267  0.00  0.00    +0.267 C 
ATOM     17  N   LIG    1        0.697  -0.159  -1.305  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        0.862   0.354  -0.442  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        1.719  -0.454  -3.389  0.00  0.00    -0.268 OA
BRANCH  16  25
ATOM     20  C   LIG    1        5.934   2.512  -2.973  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1        4.746   2.116  -2.149  0.00  0.00    +0.042 A 
ATOM     22  N   LIG    1        4.650   2.635  -0.907  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1        3.592   2.294  -0.141  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        2.621   1.465  -0.560  0.00  0.00    -0.227 NA
ATOM     25  C   LIG    1        2.758   0.965  -1.813  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        3.804   1.256  -2.657  0.00  0.00    +0.056 A 
BRANCH  23  27
ATOM     27  C   LIG    1        3.491   2.880   1.244  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1        4.606   2.661   2.243  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        3.285   1.979   2.442  0.00  0.00    +0.012 C 
ENDBRANCH  23  27
ENDBRANCH  16  25
ENDBRANCH   1  17
TORSDOF 4