REMARK  Name = BDB021163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.891  -0.219   0.357  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.272  -0.492  -0.893  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.166  -1.320  -0.871  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.218  -1.509  -2.176  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1       -0.632  -0.731  -2.932  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        0.367  -1.843   0.322  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.233  -1.612   1.458  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.557  -0.096  -2.120  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.349  -0.803   1.447  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.641  -1.110  -0.455  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.371   0.235   0.158  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.080   0.635   0.532  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.930   1.909   1.097  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.040   2.730   1.270  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.272   2.251   0.870  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.461   1.031   0.323  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.638  -0.552  -4.377  0.00  0.00    +0.357 C 
ATOM     18  O   LIG    1        0.168  -1.058  -5.143  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  OXT LIG    1       -1.647   0.264  -4.781  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1       -2.148   0.534  -3.977  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  21
ATOM     21  N   LIG    1        1.507  -2.616   0.312  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.610  -3.023   1.243  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.799  -2.056  -0.079  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.248  -0.981   0.870  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.192   0.376   0.567  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.685   1.079  -0.637  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        3.243   2.476  -0.365  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        3.459   2.622   1.056  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        3.588   1.331   1.498  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        4.047   0.994   2.755  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        4.120  -0.360   3.078  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.725  -1.325   2.143  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.794  -2.619   2.490  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6