REMARK  Name = BDB017309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591   0.514  -1.630  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -1.991  -0.318  -0.456  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -3.212   0.260   0.150  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -3.077   1.762   0.473  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -2.772   2.551  -0.732  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -1.542   2.046  -1.365  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.838   3.991  -0.415  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -1.580   4.570   0.256  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -1.150   5.165  -1.099  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.561   4.874  -1.646  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.233   0.083  -2.207  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1       -0.118  -0.095  -3.423  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        5.635  -1.366   0.299  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.496  -0.842   0.913  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        3.328  -0.591   0.169  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.307  -0.875  -1.213  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.135  -0.634  -1.950  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        0.980  -0.117  -1.341  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.017   0.174   0.025  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.458  -1.396  -1.820  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.176  -0.064   0.771  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        5.609  -1.636  -1.069  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        6.880  -1.468   2.323  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.823  -1.652   0.914  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -2.230  -1.721  -0.859  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.353  -2.652   0.330  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -1.270  -2.828   1.208  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -1.378  -3.676   2.314  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -2.571  -4.367   2.544  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -3.650  -4.207   1.673  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.542  -3.354   0.573  0.00  0.00    +0.005 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -0.271  -3.827   3.212  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1        0.623  -3.939   3.944  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7