REMARK  Name = BDB046066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.413  -0.260   0.515  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -3.188  -1.122   1.310  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -4.583  -1.097   1.173  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -5.240  -0.253   0.276  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -6.631  -0.557   0.351  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -7.704  -0.062  -0.491  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1       -7.350   0.784  -1.525  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1       -8.174   1.036  -2.066  0.00  0.00    +0.190 HD
ATOM      9  N   LIG    1       -6.462   1.873  -1.307  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -6.701   2.688  -1.870  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1       -5.092   1.686  -1.335  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1       -4.393   2.477  -1.966  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1       -8.868  -0.443  -0.385  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1       -6.783  -1.509   1.344  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -4.470   0.641  -0.490  0.00  0.00    +0.051 A 
ATOM     16  N   LIG    1       -5.547  -1.823   1.833  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -5.360  -2.510   2.552  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.066   0.614  -0.367  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        1.886  -0.267   0.842  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.163   0.925   0.970  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.232   0.925   0.865  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -0.943  -0.262   0.625  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -0.209  -1.451   0.492  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        1.185  -1.454   0.598  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        3.393  -0.275   0.950  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.002  -0.584  -0.342  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1        3.669   0.083  -1.037  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.464  -0.584  -0.299  0.00  0.00    +0.081 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.064   0.826  -0.342  0.00  0.00    +0.015 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.261   0.202  -1.486  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        7.594   0.830  -0.272  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6