REMARK  Name = BDB047932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921  -1.460   0.768  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.120  -1.364  -0.001  0.00  0.00    -0.491 OA
BRANCH   2   8
ATOM      3  C   LIG    1       -4.315  -0.540  -0.293  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -5.444   0.144   0.207  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -5.458   0.647   1.516  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -4.317   0.514   2.314  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.186  -0.144   1.830  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.179  -0.679   0.540  0.00  0.00    +0.127 A 
BRANCH   5   9
ATOM      9  C   LIG    1       -6.622   1.355   2.122  0.00  0.00    +0.164 C 
ATOM     10  O   LIG    1       -6.423   2.225   2.970  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -8.021   0.972   1.717  0.00  0.00    +0.092 C 
ENDBRANCH   5   9
BRANCH   4  12
ATOM     12  O   LIG    1       -6.544   0.359  -0.580  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -6.292   0.313  -1.516  0.00  0.00    +0.292 HD
ENDBRANCH   4  12
BRANCH   3  14
ATOM     14  C   LIG    1       -4.284  -1.138  -1.690  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.178   1.010  -3.077  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.502  -0.302  -2.710  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.117  -2.239  -0.038  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.534  -1.514  -1.318  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.079  -0.225  -1.039  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.405  -0.111  -0.737  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.834   1.197  -0.509  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.167   1.463  -0.185  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.092   0.424  -0.084  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        4.667  -0.885  -0.311  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.328  -1.151  -0.636  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.360   0.817   0.237  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.337  -0.205   0.391  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.696   0.363   0.770  0.00  0.00    +0.345 C 
ATOM     29  O   LIG    1        9.759  -0.141   0.424  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.580   1.447   1.586  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1        9.827   2.014   1.988  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14