REMARK  Name = BDB035360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.313  -1.792   0.354  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.055  -2.345   0.471  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.191  -1.807   0.687  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.107  -2.772   0.833  0.00  0.00    +0.042 A 
ATOM      5  N   LIG    1        3.424  -2.503   1.060  0.00  0.00    -0.324 N 
ATOM      6  H   LIG    1        4.095  -3.247   1.205  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.914  -1.217   1.138  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        2.924  -0.122   0.854  0.00  0.00    +0.023 A 
ATOM      9  O   LIG    1        5.089  -0.991   1.404  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.528  -4.136   0.711  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.627  -0.439   0.650  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        0.107  -3.795   0.247  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1       -2.217  -2.412  -0.227  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.661  -0.465   1.076  0.00  0.00    +0.165 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.169   1.119  -0.755  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1       -2.615   0.221   0.196  0.00  0.00    -0.302 N 
ATOM     17  H   LIG    1       -3.435  -0.322  -0.052  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1       -1.006   1.518  -0.806  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -3.247   1.540  -1.781  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -3.143   0.596  -2.979  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -3.957   3.475  -3.112  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -3.046   2.964  -2.104  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -2.075   3.099  -2.395  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH  14  16
BRANCH  14  24
ATOM     24  C   LIG    1       -2.244  -0.687   2.511  0.00  0.00    -0.011 C 
ATOM     25  C   LIG    1       -3.516  -1.556   2.516  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -1.194  -1.355   3.421  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -2.593   0.684   3.133  0.00  0.00    +0.013 C 
ENDBRANCH  14  24
ENDBRANCH   1  14
BRANCH   8  28
ATOM     28  C   LIG    1        3.446   1.285   0.790  0.00  0.00    +0.075 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.914   1.673  -0.595  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        5.249   1.468  -0.978  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        5.674   1.806  -2.263  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        4.766   2.344  -3.167  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1        5.175   2.666  -4.401  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        3.438   2.547  -2.811  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        3.009   2.210  -1.527  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 7