REMARK  Name = BDB034455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340  -1.110  -0.015  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.671  -0.592   0.298  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1        1.653   0.404   0.502  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1        2.822  -0.960  -0.420  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        4.059  -0.285  -0.188  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        5.193  -0.709  -0.922  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        6.406  -0.059  -0.741  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        6.562   1.008   0.157  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        5.458   1.412   0.907  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        5.165  -1.727  -1.789  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        4.004  -2.388  -1.940  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        4.227   0.776   0.736  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.835  -2.058  -1.282  0.00  0.00    +0.043 A 
BRANCH   8  14
ATOM     14  C   LIG    1        7.907   1.662   0.335  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        8.629   1.725  -0.818  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.689   1.003   1.234  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        7.820   2.945   0.787  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.244  -0.432  -1.254  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.609  -0.996  -1.661  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.686  -0.856  -0.685  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -2.440  -1.267   0.212  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.119   0.525  -0.491  0.00  0.00    +0.116 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -6.624   0.112   0.990  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -5.533   0.070   0.105  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -4.280   0.584   0.475  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.123   1.131   1.755  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.197   1.171   2.644  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.439   0.663   2.266  0.00  0.00    +0.012 A 
BRANCH  23  30
ATOM     29  F   LIG    1       -8.210  -0.355  -0.748  0.00  0.00    -0.166 F 
ATOM     30  C   LIG    1       -7.957  -0.467   0.587  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -8.058  -1.793   0.877  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -9.010   0.132   1.212  0.00  0.00    -0.166 F 
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9