REMARK  Name = BDB060898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290   0.648   0.036  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.378   1.751  -0.807  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.529   2.736  -0.748  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.406   1.840  -1.739  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.370   0.831  -1.809  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.324  -0.266  -0.932  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.266  -0.355  -0.015  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.381   0.528   2.232  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.760   0.554   1.062  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.099   0.450   0.688  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        3.079   0.627   1.768  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1        4.454   0.189   1.379  0.00  0.00    +0.128 A 
ATOM     13  N   LIG    1        5.536   0.207   2.133  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1        6.549  -0.276   1.340  0.00  0.00    +0.089 A 
ATOM     15  C   LIG    1        6.083  -0.593   0.067  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        6.909  -1.110  -0.938  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        8.258  -1.300  -0.613  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        8.750  -0.988   0.655  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        7.904  -0.473   1.645  0.00  0.00    +0.030 A 
ATOM     20  N   LIG    1        4.752  -0.279   0.123  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1        3.767  -0.415  -0.924  0.00  0.00    +0.142 C 
ATOM     22  C   LIG    1        2.597   0.534  -0.690  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.375  -1.353  -0.988  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.802  -0.819  -0.970  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.406  -0.346   0.302  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.710   0.143   0.242  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.352   0.612   1.395  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.682   0.592   2.617  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.377   0.105   2.684  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.412   0.162  -1.051  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -8.560   0.580  -1.152  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.707  -0.315  -2.129  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.178  -0.312  -3.028  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -4.738  -0.365   1.532  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -5.435  -0.793  -2.107  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 3