REMARK  Name = BDB062458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.173  -1.160   0.242  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.393  -0.756  -0.333  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -2.510  -0.422   0.459  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -2.388  -0.458   1.850  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.185  -0.855   2.437  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.094  -1.207   1.642  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.331  -1.321  -1.208  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.255  -0.976  -0.389  0.00  0.00    +0.143 A 
ATOM      9  F   LIG    1        2.441  -0.097   0.610  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        0.979  -1.525  -0.602  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        0.833  -2.447  -1.657  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        1.917  -2.812  -2.463  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.172  -2.254  -2.235  0.00  0.00    +0.016 A 
BRANCH   7  16
ATOM     14  C   LIG    1        3.860   1.550  -1.574  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        4.884   0.605  -1.148  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1        4.669  -0.760  -0.961  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1        5.546  -1.553  -0.623  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        6.152   1.165  -0.693  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.019   1.693   0.704  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1        5.610   3.122   0.966  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        7.024   2.686   1.234  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  N   LIG    1       -3.716  -0.014  -0.185  0.00  0.00    -0.236 N 
ATOM     23  C   LIG    1       -5.004   0.126   0.322  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -5.748   0.789  -0.642  0.00  0.00    +0.100 A 
ATOM     25  C   LIG    1       -4.883   0.841  -1.751  0.00  0.00    +0.150 A 
ATOM     26  N   LIG    1       -3.686   0.316  -1.507  0.00  0.00    -0.174 NA
BRANCH  23  27
ATOM     27  C   LIG    1       -5.569  -0.389   1.682  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -5.378  -1.837   2.067  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -6.733  -1.354   1.660  0.00  0.00    +0.010 C 
ENDBRANCH  23  27
BRANCH  24  30
ATOM     30  C   LIG    1       -7.100   1.292  -0.610  0.00  0.00    +0.340 C 
ATOM     31  O   LIG    1       -7.723   1.678  -1.589  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.669   1.365   0.613  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -8.554   1.738   0.425  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH   3  22
TORSDOF 8