REMARK  Name = BDB035997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.349   0.128   0.980  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        0.005   0.080   0.569  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.922   1.101   0.870  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.453   2.189   1.611  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.877   2.254   2.036  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.772   1.234   1.723  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.272   1.018   0.429  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.276   1.970   0.637  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        3.255   3.050   1.198  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.498   1.446   0.015  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.754   2.021  -0.042  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.758   1.311  -0.700  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.486   0.057  -1.279  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.202  -0.517  -1.212  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.213   0.208  -0.551  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.776  -0.128  -0.318  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.899  -1.855  -1.831  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        3.956  -1.766  -2.807  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        4.412  -2.743  -0.921  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.979  -2.453  -2.401  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.266  -1.026   0.565  0.00  0.00    +0.090 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -2.844   1.315  -1.564  0.00  0.00    +0.151 C 
ATOM     23  N   LIG    1       -2.727  -0.097  -1.808  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -2.481  -1.119  -0.922  0.00  0.00    +0.141 A 
ATOM     25  N   LIG    1       -2.428  -2.249  -1.607  0.00  0.00    -0.134 NA
ATOM     26  N   LIG    1       -2.651  -1.971  -2.931  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -2.828  -0.678  -3.037  0.00  0.00    +0.224 A 
ENDBRANCH  21  24
BRANCH  21  28
ATOM     28  C   LIG    1       -3.556  -1.122   1.395  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -4.413  -2.416   1.231  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -5.643  -1.556   1.584  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -4.862  -0.347   1.030  0.00  0.00    +0.004 C 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 5