REMARK  Name = BDB048366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.531   3.505  -2.452  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.056   3.221  -2.331  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.680   2.043  -1.698  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.234   1.758  -1.686  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.908   0.685  -0.710  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.656   0.175  -0.278  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.839  -0.812   0.605  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.172  -0.930   0.754  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.857  -0.052  -0.031  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.321   0.152  -0.162  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.600   0.905  -1.480  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.233   4.023  -2.775  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.664  -1.934   1.679  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.560  -2.979   1.026  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.842  -2.889   1.671  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.599  -2.381   2.987  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.485  -1.372   2.829  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.519   0.667  -0.743  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.472   1.448  -1.385  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.860   0.314  -0.472  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        2.237  -0.723   0.385  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.587  -1.030   0.610  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.603  -0.303  -0.018  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        4.237   0.735  -0.879  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.886   1.036  -1.102  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.997  -0.634   0.221  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.054   0.250   0.147  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        8.176  -0.463   0.457  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        9.530   0.030   0.518  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.931  -1.756   0.731  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.607  -1.858   0.590  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4