REMARK  Name = BDB053792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.855   0.219   0.415  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.482   0.503   0.361  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.390  -0.327  -0.355  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        0.121  -1.451  -1.014  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.486  -1.739  -0.963  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.353  -0.907  -0.251  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.807  -0.036  -0.409  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.355   1.152  -0.842  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -1.813   2.429  -1.347  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -3.712   1.069  -0.775  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -4.080  -0.176  -0.306  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.936  -0.835  -0.083  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -2.973  -2.218   0.447  0.00  0.00    +0.070 C 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  C   LIG    1        4.195   0.792   1.352  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1        2.740   1.143   1.185  0.00  0.00    +0.160 C 
ATOM     16  O   LIG    1        2.274   2.174   1.665  0.00  0.00    -0.292 OA
ENDBRANCH   1  15
TORSDOF 2