REMARK  Name = BDB060528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.004   0.705   0.550  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.792  -0.496   0.237  0.00  0.00    -0.231 N 
ATOM      3  C   LIG    1       -1.885  -1.647   0.986  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -2.768  -2.431   0.251  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -3.115  -3.707   0.716  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.552  -4.158   1.916  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.662  -3.356   2.635  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -3.161  -1.757  -0.872  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.306  -2.079   2.186  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1       -2.553  -0.579  -0.881  0.00  0.00    -0.064 NA
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        3.000   0.257  -1.033  0.00  0.00    +0.132 A 
ATOM     12  C   LIG    1        1.918   0.253  -1.908  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        0.625   0.402  -1.403  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.407   0.561  -0.022  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        1.521   0.592   0.838  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.815   0.448   0.334  0.00  0.00    +0.047 A 
BRANCH  11  17
ATOM     17  O   LIG    1        4.279   0.155  -1.599  0.00  0.00    -0.426 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.421  -0.781  -1.828  0.00  0.00    +0.136 C 
ATOM     19  C   LIG    1        5.112  -0.842  -1.099  0.00  0.00    +0.309 C 
ATOM     20  O   LIG    1        4.852  -1.649  -0.217  0.00  0.00    -0.251 OA
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   1  21
ATOM     21  C   LIG    1       -1.731   2.016   0.228  0.00  0.00    +0.070 A 
ATOM     22  N   LIG    1       -1.008   3.039  -0.305  0.00  0.00    -0.257 NA
ATOM     23  C   LIG    1       -1.636   4.211  -0.542  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -2.966   4.444  -0.248  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.696   3.414   0.326  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.075   2.192   0.577  0.00  0.00    +0.026 A 
ENDBRANCH   1  21
TORSDOF 5