REMARK  Name = BDB048738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.274   0.238  -1.881  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        3.608   0.047  -1.433  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        4.489   0.123  -2.446  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1        3.724   0.389  -3.517  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        4.178   0.499  -4.418  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        2.396   0.482  -3.232  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        4.144  -0.196   0.020  0.00  0.00    +0.159 A 
ATOM      8  N   LIG    1        5.482  -0.353   0.274  0.00  0.00    -0.333 N 
ATOM      9  H   LIG    1        6.198  -0.328  -0.442  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.643  -0.535   1.622  0.00  0.00    +0.140 A 
ATOM     11  C   LIG    1        4.369  -0.476   2.135  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1        3.450  -0.267   1.138  0.00  0.00    -0.234 NA
BRANCH  10  13
ATOM     13  C   LIG    1        6.953  -0.736   2.254  0.00  0.00    +0.434 C 
ATOM     14  F   LIG    1        7.222   0.218   3.177  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        7.958  -0.699   1.342  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        7.033  -1.934   2.881  0.00  0.00    -0.164 F 
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  18
ATOM     17  C   LIG    1        0.677  -0.579  -0.198  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        1.018   0.237  -1.207  0.00  0.00    +0.012 C 
BRANCH  17  21
ATOM     19  C   LIG    1       -3.041  -0.429   0.525  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -1.835  -0.420  -0.188  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -0.618  -0.543   0.488  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -0.671  -0.691   1.873  0.00  0.00    +0.118 A 
ATOM     23  N   LIG    1       -1.814  -0.700   2.599  0.00  0.00    -0.262 NA
ATOM     24  C   LIG    1       -2.968  -0.559   1.909  0.00  0.00    +0.115 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -4.370  -0.295  -0.166  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.944   1.030   0.065  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -4.255   1.732  -0.206  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1       -7.350   0.436  -0.188  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.173   1.257  -0.695  0.00  0.00    +0.078 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 7