REMARK  Name = BDB035354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.670   0.270   1.270  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.327  -0.375   0.087  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1       -0.777  -1.189  -0.107  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.808  -1.533   0.830  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.843  -2.312   0.460  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -2.901  -2.862  -0.942  0.00  0.00    +0.255 A 
ATOM      7  N   LIG    1       -1.856  -2.487  -1.796  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.859  -2.976  -3.166  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.824  -3.599  -1.280  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -0.836  -1.668  -1.355  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        0.306  -1.195  -2.183  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        1.124  -0.410  -1.153  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1       -0.011   0.155   2.299  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        1.833   1.321   1.301  0.00  0.00    +0.165 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.018   0.194   0.888  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1        3.004   1.032   0.476  0.00  0.00    -0.302 N 
ATOM     17  H   LIG    1        3.134   1.470  -0.431  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1        3.975  -0.469   1.918  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1        5.249   0.208  -0.045  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1        6.063   1.466   0.258  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1        5.877   0.151  -2.410  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        4.772   0.140  -1.455  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1        4.295  -0.759  -1.555  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH  14  16
BRANCH  14  24
ATOM     24  C   LIG    1        1.330   2.797   1.098  0.00  0.00    -0.011 C 
ATOM     25  C   LIG    1        0.769   3.050  -0.312  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        2.501   3.780   1.337  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        0.229   3.149   2.122  0.00  0.00    +0.013 C 
ENDBRANCH  14  24
ENDBRANCH   1  14
BRANCH   5  28
ATOM     28  C   LIG    1       -3.947  -2.713   1.402  0.00  0.00    +0.078 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.240  -1.961   1.184  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -6.427  -2.654   0.911  0.00  0.00    +0.130 A 
ATOM     31  F   LIG    1       -6.425  -3.994   0.852  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.630  -1.986   0.714  0.00  0.00    +0.077 A 
ATOM     33  C   LIG    1       -7.652  -0.602   0.801  0.00  0.00    +0.126 A 
ATOM     34  F   LIG    1       -8.806   0.053   0.615  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -6.496   0.118   1.085  0.00  0.00    +0.039 A 
ATOM     36  C   LIG    1       -5.290  -0.559   1.281  0.00  0.00    +0.009 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7