REMARK  Name = BDB035026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.155   0.159  -2.162  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.223   0.022  -0.992  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -4.530  -0.811   0.093  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.760  -0.968   1.184  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.606  -0.263   1.188  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.222   0.576   0.150  0.00  0.00    +0.066 A 
ATOM      7  N   LIG    1       -1.009   1.118   0.498  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.461   1.755  -0.071  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -0.609   0.641   1.729  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -1.594  -0.219   2.176  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -3.022   0.743  -0.977  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1       -5.721  -1.548   0.110  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.699  -2.095   0.968  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.786  -2.143  -0.707  0.00  0.00    +0.144 HD
ENDBRANCH   3  12
BRANCH   9  15
ATOM     15  C   LIG    1        0.678   1.079   2.339  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.794   0.491   1.603  0.00  0.00    -0.309 N 
ATOM     17  C   LIG    1        2.246   1.143   0.449  0.00  0.00    +0.259 A 
ATOM     18  O   LIG    1        1.731   2.167   0.001  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1        3.397   0.522  -0.261  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.934  -0.677   0.223  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1        5.014  -1.263  -0.446  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        5.549  -0.654  -1.585  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.010   0.540  -2.062  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.358  -1.299   1.412  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        3.933   1.131  -1.402  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.337  -0.705   2.038  0.00  0.00    +0.090 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
TORSDOF 3