REMARK  Name = BDB001049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032   0.507  -1.177  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.256   1.601  -2.004  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.120   1.527  -3.026  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.603   2.803  -1.760  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.293   2.903  -0.692  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.555   1.794   0.133  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.129   0.593  -0.111  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.070  -1.628  -2.047  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.707  -0.770  -1.443  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.993  -0.948  -0.954  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -3.739   0.049  -0.179  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -5.226  -0.315  -0.021  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.478  -1.654   0.531  0.00  0.00    -0.313 NA
ATOM     14  H   LIG    1       -5.463  -1.617   1.550  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.473  -2.642   0.088  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1       -3.659  -2.237  -1.153  0.00  0.00    +0.123 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1        1.516   1.933   1.294  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.408   0.718   1.516  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        3.558   0.463   0.612  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.333  -0.666   0.873  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        5.436  -0.977   0.068  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.763  -0.152  -1.006  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.992   0.978  -1.274  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.981  -1.532   2.010  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1        4.639  -2.528   2.285  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        2.880  -1.154   2.739  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1        2.623  -1.742   3.526  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1        3.891   1.288  -0.468  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1        2.104  -0.060   2.514  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3