REMARK  Name = BDB060798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.668  -1.338  -0.309  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        0.102  -0.072   0.399  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.188  -0.572   1.097  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -2.464   0.218   0.954  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -2.854   0.716   2.199  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.978   1.495   2.372  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -4.748   1.771   1.240  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.386   1.257  -0.017  0.00  0.00    +0.000 A 
ATOM      9  N   LIG    1       -1.976   0.295   3.184  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -2.052   0.504   4.168  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.241   0.468  -0.166  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -0.967  -0.498   2.656  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -0.090  -1.055   3.298  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -1.372  -1.982   0.686  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -1.827  -2.520   1.427  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1       -0.005  -2.514   0.422  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        2.294  -1.371  -2.869  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        2.940  -1.393  -1.508  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        2.192  -1.385  -0.309  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        2.889  -1.420   0.916  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.283  -1.456   0.958  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.011  -1.458  -0.223  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.344  -1.427  -1.446  0.00  0.00    +0.003 A 
ENDBRANCH   1  19
BRANCH   2  24
ATOM     24  C   LIG    1       -0.076   1.103  -0.517  0.00  0.00    +0.174 A 
ATOM     25  C   LIG    1       -0.034   2.475  -0.366  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -0.304   2.992  -1.657  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -0.394   4.400  -2.114  0.00  0.00    +0.071 C 
ATOM     28  N   LIG    1       -0.510   1.999  -2.532  0.00  0.00    -0.081 NA
ATOM     29  O   LIG    1       -0.377   0.829  -1.819  0.00  0.00    -0.357 OA
BRANCH  25  30
ATOM     30  N   LIG    1        0.209   3.198   0.841  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1        0.370   4.420   0.745  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        0.231   2.551   1.895  0.00  0.00    -0.126 OA
ENDBRANCH  25  30
ENDBRANCH   2  24
BRANCH  16  33
ATOM     33  C   LIG    1        0.058  -3.823  -0.393  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        1.326  -4.261  -0.546  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1       -0.627  -4.806   0.242  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1       -0.481  -3.682  -1.624  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4