REMARK  Name = BDB000087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.947  -2.998   0.532  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.469  -1.884   0.370  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        2.257  -0.632   0.286  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        1.557   0.564   0.104  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        2.238   1.779   0.019  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        3.623   1.798   0.116  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.342   0.621   0.297  0.00  0.00    +0.091 A 
ATOM      8  O   LIG    1        0.190   0.633  -0.000  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -0.539  -0.540   0.063  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.656  -0.595   0.382  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        0.006  -1.750   0.245  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.998  -0.355  -0.059  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -2.625   0.721   0.593  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.005   0.921   0.483  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.763   0.048  -0.287  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -4.165  -1.017  -0.949  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.786  -1.217  -0.838  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -6.109   0.205  -0.424  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -6.385   0.983   0.087  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        4.245   3.008   0.027  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        5.206   2.884   0.102  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1        4.374  -1.743   0.559  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        5.324  -1.555   0.604  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
TORSDOF 4