REMARK  Name = BDB000442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.579  -0.472  -1.448  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.869  -1.094  -0.233  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.150  -0.968   0.287  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.685  -1.583   1.543  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -4.939  -0.732   1.775  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -5.449  -0.308   0.376  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -4.146  -0.245  -0.382  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.873   0.358  -1.598  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.582   0.247  -2.122  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.371  -0.493  -2.092  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        0.695  -1.194  -1.450  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.946  -1.080  -2.321  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.463   0.356  -2.412  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.825   0.866  -1.128  0.00  0.00    -0.492 OA
BRANCH  14  18
ATOM     15  C   LIG    1        6.583   0.300   0.600  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        6.318  -0.290  -0.637  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        5.075  -0.130  -1.261  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.081   0.628  -0.648  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        4.346   1.216   0.592  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        5.589   1.056   1.215  0.00  0.00    +0.049 A 
BRANCH  15  22
ATOM     21  C   LIG    1        8.156   0.651   2.346  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        7.836   0.061   1.092  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -6.222   1.010   0.400  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -7.540   0.884   1.125  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1       -8.050  -0.162   1.489  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -8.136   2.084   1.320  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -7.628   2.840   0.971  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 10