REMARK  Name = BDB060658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.434   0.771   1.367  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.212   1.341   0.262  0.00  0.00    -0.294 N 
ATOM      3  O   LIG    1        0.194   1.077   2.533  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        3.510  -2.145   0.815  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        3.585  -0.919   0.141  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.580   0.037   0.310  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.489  -0.242   1.141  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        1.424  -1.454   1.838  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        2.430  -2.408   1.666  0.00  0.00    +0.019 A 
BRANCH   4  11
ATOM     10  N   LIG    1        5.378  -3.917   0.494  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1        4.544  -3.124   0.641  0.00  0.00    +0.099 C 
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1       -1.123   2.440   0.519  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1       -0.594   3.781   0.960  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -1.218   3.636  -0.393  0.00  0.00    +0.024 C 
ENDBRANCH   2  12
BRANCH   2  15
ATOM     15  C   LIG    1       -0.367   0.659  -1.034  0.00  0.00    +0.114 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.693  -0.090  -1.156  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -1.876  -0.740  -2.517  0.00  0.00    +0.165 C 
ATOM     18  O   LIG    1       -2.804  -1.818  -2.334  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1       -2.955  -2.055  -0.927  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -1.850  -1.284  -0.237  0.00  0.00    +0.035 C 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5