REMARK  Name = BDB028280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.298  -1.072  -0.349  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.597   0.227   0.105  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.802   0.855  -0.243  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.722   0.176  -1.035  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.997   0.828  -1.375  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.189   2.087  -0.861  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.065   2.551  -1.082  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.306   2.785  -0.097  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.834   0.269  -2.076  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.446  -1.114  -1.497  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.168   2.225   0.198  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.240  -1.730  -1.157  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        3.787  -1.475   0.080  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.386  -1.761   0.151  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        2.248  -3.008   0.745  0.00  0.00    +0.138 A 
ATOM     16  N   LIG    1        1.109  -3.675   1.002  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1        0.004  -2.983   0.621  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -0.030  -1.721   0.015  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        3.498  -3.473   1.042  0.00  0.00    -0.345 N 
ATOM     20  H   LIG    1        3.670  -4.361   1.489  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        1.204  -1.097  -0.225  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.441  -2.561   0.643  0.00  0.00    +0.091 A 
BRANCH  13  23
ATOM     23  C   LIG    1        4.421  -0.254  -0.501  0.00  0.00    +0.196 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.523   2.098  -0.426  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1        3.903   0.934   0.101  0.00  0.00    -0.378 OA
ENDBRANCH  23  25
ENDBRANCH  13  23
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1       -2.192   3.039   1.043  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.264   2.580   2.431  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -1.684   3.186   3.011  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -3.220   2.717   2.765  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 5