REMARK  Name = BDB046762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.537   0.415  -0.565  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.154   0.336  -0.820  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        0.307  -0.325   0.073  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.863  -0.892   1.227  0.00  0.00    +0.145 A 
ATOM      5  F   LIG    1        0.064  -1.523   2.103  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        2.226  -0.820   1.494  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        3.068  -0.166   0.595  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -1.089  -0.460  -0.093  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -1.556  -0.959   0.657  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.842  -0.076  -1.177  0.00  0.00    +0.241 C 
ATOM     11  O   LIG    1       -1.437   0.386  -2.234  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -3.295  -0.336  -1.028  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -3.961  -0.101   0.110  0.00  0.00    +0.096 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.407  -0.336   0.147  0.00  0.00    +0.330 C 
ATOM     15  O   LIG    1       -6.110  -0.767  -0.745  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.892  -0.014   1.356  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -6.853  -0.195   1.283  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     18  C   LIG    1        4.897   0.969  -1.459  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1        3.403   1.139  -1.544  0.00  0.00    +0.160 C 
ATOM     20  O   LIG    1        2.895   1.868  -2.391  0.00  0.00    -0.292 OA
ENDBRANCH   1  19
TORSDOF 5