REMARK  Name = BDB060681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.497  -0.887   0.003  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.142  -0.831   0.030  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1        1.513  -2.020   0.213  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        2.204  -3.215   0.365  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        1.339  -4.248   0.531  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1        0.087  -3.715   0.485  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1        3.587  -3.287   0.341  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.128  -2.344   0.299  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.237  -2.065   0.152  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.842   2.739  -0.715  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.619   2.000  -0.514  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        4.450   2.659  -0.473  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        3.552   1.688  -0.280  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        4.140   0.403  -0.195  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        5.490   0.649  -0.354  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -1.054  -1.499   0.198  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.244  -1.825   0.858  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -3.377  -1.005   0.752  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.361   0.170  -0.014  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -2.158   0.489  -0.669  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.025  -0.329  -0.565  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.584   1.094  -0.151  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1       -4.235   2.499   0.387  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -5.827   0.603   0.625  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -4.987   1.205  -1.637  0.00  0.00    +0.015 C 
ENDBRANCH  19  22
ENDBRANCH   8  16
TORSDOF 3