REMARK  Name = BDB060674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.579  -2.088   0.121  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.948  -1.690   0.164  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.694  -2.860   0.194  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.079  -2.863   0.235  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.670  -1.597   0.242  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.874  -0.446   0.209  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        1.879  -3.946   0.179  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.518  -0.458   0.170  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.605  -3.472   0.140  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.018   0.279   0.051  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1       -2.972  -0.993  -0.539  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.805  -1.768  -0.523  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.641  -1.294   0.093  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -0.675  -0.028   0.687  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.845   0.741   0.668  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.202   0.883   1.224  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.291   1.112   0.043  0.00  0.00    -0.007 C 
ATOM     18  C   LIG    1       -4.940   1.429  -1.293  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -4.234   2.514  -0.539  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.484   0.876   0.215  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        3.788   2.063   0.099  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1        4.710   3.064   0.145  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        4.553   4.065   0.086  0.00  0.00    +0.188 HD
ATOM     24  N   LIG    1        5.971   2.622   0.286  0.00  0.00    -0.182 NA
ATOM     25  C   LIG    1        5.831   1.294   0.328  0.00  0.00    +0.144 A 
ENDBRANCH   6  20
TORSDOF 3