REMARK  Name = BDB020049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.115  -0.973   0.816  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.238  -1.262  -0.547  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -1.486  -1.565  -1.099  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.614  -1.580  -0.274  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.510  -1.291   1.100  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.247  -1.006   1.638  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.133  -0.069   0.611  0.00  0.00    -0.303 N 
ATOM      8  H   LIG    1        1.770   0.420  -0.195  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.203  -0.664   1.436  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.387  -0.912   2.621  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.396   0.439   1.145  0.00  0.00    +0.125 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.964   1.794  -3.485  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.822   2.068  -2.019  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        4.208   1.137  -1.176  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.064   1.423   0.186  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        4.491   2.600   0.714  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1        5.069   3.491  -0.119  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.249   3.277  -1.474  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
BRANCH  11  19
ATOM     19  C   LIG    1        4.284  -0.711   1.580  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        5.744  -0.876   1.213  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        4.720  -1.815   0.640  0.00  0.00    +0.006 C 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  O   LIG    1       -1.457  -1.831  -2.438  0.00  0.00    -0.406 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.679  -2.163  -3.078  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1       -3.560  -1.144  -3.005  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1       -3.223  -3.275  -2.540  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1       -2.428  -2.409  -4.383  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   5  27
ATOM     27  C   LIG    1       -3.720  -1.340   2.013  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.891  -0.730   1.415  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -5.060   0.641   1.181  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -4.243   1.613   1.370  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -3.360   1.249   1.726  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -6.363   0.743   0.688  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -7.001   2.005   0.407  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -6.968  -0.503   0.677  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -6.074  -1.400   1.115  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8