REMARK  Name = BDB045510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.310  -1.319  -0.031  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.772  -0.011  -0.258  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        2.077   1.074   0.284  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.912   0.843   1.022  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.170   1.979   1.602  0.00  0.00    +0.179 C 
ATOM      6  C   LIG    1       -1.062   1.510   2.108  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.729   0.228   2.128  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -0.697  -0.795   1.962  0.00  0.00    -0.482 OA
ATOM      9  O   LIG    1        0.531   3.139   1.653  0.00  0.00    -0.291 OA
ATOM     10  C   LIG    1        0.426  -0.466   1.228  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        1.135  -1.545   0.702  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.794   0.050   1.065  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -3.124  -1.225   0.592  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.119  -1.400  -0.383  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -4.852  -0.337  -0.932  0.00  0.00    +0.179 A 
ATOM     16  O   LIG    1       -5.748  -0.506  -1.822  0.00  0.00    -0.288 OA
ATOM     17  C   LIG    1       -4.521   0.926  -0.416  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.530   1.127   0.559  0.00  0.00    +0.011 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.845  -2.992   0.325  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1        2.958  -2.391  -0.600  0.00  0.00    -0.472 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  C   LIG    1        3.950   0.238  -1.032  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.232   0.496  -1.853  0.00  0.00    -0.030 C 
ATOM     23  C   LIG    1        6.313   0.708  -2.537  0.00  0.00    -0.048 C 
ATOM     24  C   LIG    1        7.307   1.791  -2.093  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        6.609  -0.126  -3.792  0.00  0.00    +0.026 C 
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4