REMARK  Name = BDB033087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.481  -0.231   1.271  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        0.577  -0.643   0.552  0.00  0.00    +0.112 A 
ATOM      3  N   LIG    1        1.811  -0.907   1.139  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1        2.026  -0.775   2.507  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1        3.086  -1.005   3.083  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.856  -0.322   3.302  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.316  -0.072   2.704  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.127   0.074  -0.562  0.00  0.00    +0.252 C 
ATOM      9  N   LIG    1       -1.733   0.051   0.766  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -2.421   0.351   1.445  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.391  -0.063  -1.536  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1       -6.975  -0.162   0.820  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.911   0.278  -0.143  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -4.562  -0.024   0.100  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.568   0.357  -0.816  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -3.946   0.996  -2.005  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -5.283   1.294  -2.255  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -6.262   0.936  -1.328  0.00  0.00    +0.007 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -3.053   1.356  -2.979  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1       -2.196   0.915  -2.780  0.00  0.00    +0.292 HD
ENDBRANCH  16  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1        2.924  -1.356   0.302  0.00  0.00    +0.160 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.877  -0.260  -0.165  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        5.159  -0.599  -0.672  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.022   0.424  -1.112  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.627   1.760  -1.077  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.365   2.093  -0.603  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.498   1.095  -0.156  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1        5.636  -2.035  -0.740  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        5.906  -2.558   0.486  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.774  -2.198  -1.472  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.717  -2.866  -1.308  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6