REMARK  Name = BDB008544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.805   0.950  -0.088  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -2.000   0.481  -0.668  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -2.610   1.110  -1.540  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.598  -0.865  -0.181  0.00  0.00    +0.217 C 
ATOM      5  O   LIG    1       -3.401  -1.497  -1.202  0.00  0.00    -0.365 OA
ATOM      6  C   LIG    1       -4.792  -1.201  -1.057  0.00  0.00    +0.176 C 
ATOM      7  C   LIG    1       -5.325  -1.774   0.267  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -4.381  -1.686   1.402  0.00  0.00    -0.311 NA
ATOM      9  H   LIG    1       -3.878  -2.575   1.441  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -3.394  -0.626   1.127  0.00  0.00    +0.122 C 
ENDBRANCH   2   4
BRANCH   1  11
ATOM     11  C   LIG    1       -0.177   2.204  -0.526  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -0.954   3.458  -0.816  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -0.232   2.744  -1.927  0.00  0.00    +0.024 C 
ENDBRANCH   1  11
BRANCH   1  15
ATOM     14  C   LIG    1       -0.125   1.049   2.296  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -0.066   0.233   0.994  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.322  -0.212   0.534  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        2.500   0.113   1.228  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        3.763  -0.325   0.786  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.855  -1.112  -0.382  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        5.115  -1.546  -0.825  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        6.272  -1.209  -0.122  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.184  -0.434   1.030  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.684  -1.442  -1.076  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.938   0.006   1.481  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.437  -1.001  -0.623  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4