REMARK  Name = BDB060685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.023   1.895   0.568  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.375   1.601   0.221  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.129   2.696   0.618  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.503   2.765   0.446  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.075   1.646  -0.162  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.274   0.563  -0.549  0.00  0.00    +0.112 A 
ATOM      7  O   LIG    1        2.334   3.645   1.176  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.927   0.510  -0.371  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        1.065   3.157   1.137  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.588  -0.401   0.006  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -2.489   0.564   1.019  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.316   1.311   1.206  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.199   1.121   0.384  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -0.285   0.158  -0.624  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.457  -0.588  -0.809  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.384  -0.996  -1.658  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -3.856  -1.239  -0.228  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -3.526  -2.738  -0.057  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.010  -0.911   0.747  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.892  -0.603  -1.191  0.00  0.00    +0.222 A 
ATOM     21  N   LIG    1        4.235  -1.689  -1.646  0.00  0.00    -0.132 NA
ATOM     22  N   LIG    1        5.258  -2.413  -2.115  0.00  0.00    -0.176 N 
ATOM     23  H   LIG    1        5.124  -3.326  -2.540  0.00  0.00    +0.214 HD
ATOM     24  N   LIG    1        6.472  -1.865  -1.994  0.00  0.00    -0.048 NA
ATOM     25  N   LIG    1        6.253  -0.700  -1.401  0.00  0.00    -0.106 NA
ENDBRANCH   6  20
TORSDOF 3