REMARK  Name = BDB060654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -0.371  -1.240  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.164   0.628  -0.917  0.00  0.00    -0.290 N 
ATOM      3  O   LIG    1       -0.687  -1.079  -2.243  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -4.088  -1.115   1.332  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -2.784  -1.253   1.826  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.689  -1.007   0.994  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.901  -0.607  -0.330  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -3.200  -0.494  -0.836  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.293  -0.740  -0.002  0.00  0.00    +0.019 A 
BRANCH   4  11
ATOM     10  N   LIG    1       -6.118  -1.566   2.884  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1       -5.211  -1.367   2.188  0.00  0.00    +0.099 C 
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1        0.046   1.515   0.216  0.00  0.00    +0.077 C 
ATOM     13  C   LIG    1        0.218   3.008   0.075  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -1.131   2.443   0.382  0.00  0.00    +0.024 C 
ENDBRANCH   2  12
BRANCH   2  15
ATOM     15  C   LIG    1        1.411   0.672  -1.680  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.521  -0.086  -0.983  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        3.455   0.590  -0.182  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.461  -0.118   0.477  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.532  -1.500   0.340  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.497  -2.177   0.976  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.614  -2.188  -0.444  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        2.607  -1.483  -1.104  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5