REMARK  Name = BDB051097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.372  -0.450   1.775  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.792  -1.740   2.083  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.082  -2.007   2.331  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.128  -2.782   2.144  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.482  -2.530   1.911  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.925  -1.227   1.629  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.987  -0.186   1.564  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.145   1.617   2.483  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.324   0.671   1.719  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.337   0.634   0.782  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -3.303   1.717   0.689  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -4.330   1.231  -0.346  0.00  0.00    -0.012 C 
ATOM     13  C   LIG    1       -5.049   2.363  -1.072  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1       -6.123   2.811  -0.088  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -6.476   1.573   0.737  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -5.496   0.480   0.312  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -3.475   0.345  -1.256  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -2.519  -0.338  -0.286  0.00  0.00    +0.108 C 
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  C   LIG    1        3.388  -0.952   1.369  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.817  -1.049  -0.092  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        5.226  -0.721  -0.433  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        5.600  -0.813  -1.772  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        6.910  -0.518  -2.170  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        7.851  -0.129  -1.219  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.485  -0.036   0.123  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.601  -1.228  -2.769  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        4.884  -1.323  -3.958  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        3.346  -1.503  -2.286  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        2.642  -1.792  -2.958  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        6.177  -0.331   0.520  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        2.950  -1.420  -0.989  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3