REMARK  Name = BDB060012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.328  -0.406   0.408  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.099   0.243   0.539  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.289   0.746  -0.595  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.599   1.927  -0.236  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        1.099   2.073   1.067  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        1.966   3.129   1.373  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.319   4.053   0.391  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.819   3.920  -0.901  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.739   1.049   2.103  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        0.966   2.862  -1.216  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.685   0.542   1.912  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -2.934  -0.839   1.392  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.083  -1.530  -1.117  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.985  -0.466  -0.981  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.759   0.826  -1.248  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -5.115   0.617  -0.576  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -5.325  -0.895  -0.488  0.00  0.00    +0.015 C 
BRANCH  13  19
ATOM     18  O   LIG    1       -2.540  -3.346  -0.685  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1       -3.656  -2.865  -0.565  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.647  -3.572   0.002  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -4.198  -4.377   0.334  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  14
BRANCH   3  22
ATOM     22  C   LIG    1        0.473  -0.390  -1.348  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.769  -0.756  -0.805  0.00  0.00    -0.232 N 
ATOM     24  C   LIG    1        1.963  -1.639   0.219  0.00  0.00    +0.254 C 
ATOM     25  O   LIG    1        1.148  -2.262   0.871  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        3.407  -1.714   0.435  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.012  -0.881  -0.487  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.383  -0.726  -0.543  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        6.146  -1.449   0.379  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.528  -2.299   1.321  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.137  -2.439   1.356  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        2.956  -0.283  -1.299  0.00  0.00    +0.254 C 
ATOM     33  O   LIG    1        3.156   0.457  -2.244  0.00  0.00    -0.270 OA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5