REMARK  Name = BDB003934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.939   0.358  -1.661  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.108   0.464  -0.765  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.341   1.147  -1.127  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -2.400   0.616  -0.138  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1       -3.434   1.700   0.155  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.495   2.768  -0.446  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.272   1.450   1.212  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -4.609   2.333   1.584  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.418   0.726   1.038  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.466   1.143   1.534  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.412  -0.496   0.153  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -4.122  -1.300   0.165  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -3.040  -0.665  -0.706  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -1.525   0.350   1.108  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -0.202  -0.154   0.546  0.00  0.00    +0.109 C 
ATOM     16  O   LIG    1        0.903   0.798  -2.805  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        6.152  -0.114   1.551  0.00  0.00    +0.149 C 
ATOM     18  N   LIG    1        4.907   0.271   0.924  0.00  0.00    -0.350 N 
ATOM     19  C   LIG    1        4.181  -0.519   0.055  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        3.058   0.223  -0.329  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.142  -0.369  -1.224  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.378  -1.652  -1.738  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        3.505  -2.365  -1.339  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.145   1.483   0.331  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        4.420  -1.816  -0.433  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        4.286   1.479   1.100  0.00  0.00    +0.086 A 
ENDBRANCH   1  21
TORSDOF 1