REMARK  Name = BDB001041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -1.540   0.589  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.489  -2.732   1.300  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.261  -3.792   0.966  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.352  -2.837   2.385  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.148  -1.747   2.748  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.100  -0.548   2.017  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.207  -0.449   0.938  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.058  -1.216  -1.665  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.483  -1.428  -0.581  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.866  -1.540  -0.417  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.689  -1.374  -1.615  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        2.996   0.109  -1.891  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        4.178   0.685  -1.219  0.00  0.00    -0.299 NA
ATOM     14  C   LIG    1        4.349   0.326   0.196  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        3.091   0.064   1.036  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        2.550  -1.356   0.858  0.00  0.00    +0.109 C 
BRANCH  13  17
ATOM     17  C   LIG    1        5.408   0.438  -2.009  0.00  0.00    +0.112 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.617   1.308  -1.620  0.00  0.00    +0.171 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.281   0.816  -0.461  0.00  0.00    -0.394 OA
ATOM     20  H   LIG    1        6.975   1.357   0.286  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.961   0.623   2.439  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.541   1.427   1.283  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -4.673   0.882   0.490  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.152   1.669  -0.556  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -6.215   1.227  -1.352  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -6.802  -0.012  -1.099  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.327  -0.804  -0.055  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.528   2.976  -0.816  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -4.924   3.706  -1.717  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.489   3.325   0.011  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -3.043   4.221  -0.159  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -5.266  -0.361   0.741  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -2.997   2.583   1.038  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6