REMARK  Name = BDB046945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301  -0.069  -0.803  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.826   0.756  -0.710  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.038   0.236  -0.255  0.00  0.00    +0.163 A 
ATOM      4  O   LIG    1       -3.100   1.104  -0.205  0.00  0.00    -0.485 OA
ATOM      5  C   LIG    1       -4.340   0.401  -0.070  0.00  0.00    +0.270 C 
ATOM      6  C   LIG    1       -4.232  -0.675   0.998  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -3.276  -1.672   0.618  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -2.127  -1.104   0.131  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.017  -1.937   0.016  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.194  -1.422  -0.452  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1        4.130   1.451  -2.296  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        3.937   1.109  -1.145  0.00  0.00    +0.335 C 
ATOM     13  C   LIG    1        2.702   0.504  -0.600  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1        1.559   0.491  -1.300  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1        2.998   0.031   0.772  0.00  0.00    +0.083 C 
ATOM     16  C   LIG    1        4.186   0.898   1.112  0.00  0.00    +0.237 C 
ATOM     17  O   LIG    1        4.835   1.201  -0.125  0.00  0.00    -0.461 OA
ENDBRANCH   1  14
TORSDOF 1