REMARK  Name = BDB028187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.143  -1.688  -0.212  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.467  -0.333  -0.384  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.483   0.253   0.382  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.186  -0.522   1.301  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.260   0.101   2.091  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.485   1.435   1.856  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.223   1.881   2.394  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.808   2.223   0.978  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.910  -0.543   2.906  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.877  -1.876   1.471  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.854   1.685   0.271  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.857  -2.456   0.716  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.224  -1.818  -1.089  0.00  0.00    +0.077 A 
ATOM     14  N   LIG    1        1.878  -2.733  -1.887  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.272  -2.728  -2.271  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        1.089  -3.733  -2.324  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -0.089  -3.481  -1.753  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -0.076  -2.297  -0.985  0.00  0.00    +0.027 A 
BRANCH  13  23
ATOM     19  C   LIG    1        3.651   2.942   1.134  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        3.058   1.687   0.564  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        2.732   0.612   1.401  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        2.144  -0.553   0.882  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        1.868  -0.644  -0.494  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        2.186   0.441  -1.326  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        2.769   1.596  -0.801  0.00  0.00    +0.004 A 
BRANCH  22  26
ATOM     26  C   LIG    1        1.844  -1.627   1.787  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1        1.611  -2.483   2.536  0.00  0.00    -0.191 NA
ENDBRANCH  22  26
ENDBRANCH  13  23
ENDBRANCH   1  18
BRANCH  11  28
ATOM     28  C   LIG    1       -2.075   2.564  -0.713  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.546   3.954  -0.668  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -3.553   3.942  -0.847  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -2.494   4.264   0.306  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5