REMARK  Name = BDB021164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.556   0.641   0.496  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.329  -0.741   0.249  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1        0.216  -1.298   0.837  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.239  -2.646   0.551  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1        1.336  -2.841  -0.271  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -0.700  -0.548   1.596  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.460   0.709   1.853  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.991  -1.636  -0.454  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        0.667   1.272   1.292  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.346   0.352   1.565  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.997   1.303   0.456  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.690   1.415  -0.041  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.465   2.320  -1.087  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.519   3.072  -1.597  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.771   2.899  -1.038  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        5.031   2.043  -0.028  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.782  -4.096  -0.890  0.00  0.00    +0.357 C 
ATOM     18  O   LIG    1        2.480  -4.157  -1.892  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  OXT LIG    1        1.345  -5.226  -0.267  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1        0.927  -5.043   0.593  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  21
ATOM     21  N   LIG    1       -1.853  -1.131   2.082  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.259  -0.478   2.755  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.916  -1.521   1.152  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.464  -0.332   0.408  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -3.075   0.029  -0.904  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.623   1.173  -1.479  0.00  0.00    +0.135 A 
ATOM     27  O   LIG    1       -3.128   1.361  -2.732  0.00  0.00    -0.463 OA
ATOM     28  C   LIG    1       -2.260   0.347  -2.974  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -4.546   2.007  -0.852  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -4.924   1.649   0.442  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -2.192  -0.498  -1.890  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1       -4.391   0.513   1.048  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.777   0.220   2.299  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6