REMARK  Name = BDB046205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.963  -0.591   0.316  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.171  -0.095  -0.013  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.454  -0.970  -0.835  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.072  -1.101  -0.688  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.384  -0.362   0.276  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.094   0.510   1.100  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.480   0.642   0.957  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.672   0.035  -0.153  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.440  -0.912   0.784  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.907  -0.484   0.846  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        7.391   0.561   0.439  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.698  -1.380   1.477  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        8.595  -0.992   1.414  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.351  -2.249   0.273  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.468  -3.633   2.274  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        4.623  -3.144   1.112  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.743   0.240   1.178  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.233  -0.101   1.016  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.846   0.602  -0.126  0.00  0.00    -0.291 N 
ATOM     20  C   LIG    1       -3.910  -0.014  -1.393  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -4.550   0.675  -2.442  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.664   0.130  -3.726  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.131  -1.125  -3.997  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.486  -1.825  -2.984  0.00  0.00    +0.002 A 
ATOM     25  O   LIG    1       -5.107   1.926  -2.284  0.00  0.00    -0.452 OA
ATOM     26  C   LIG    1       -4.968   2.538  -1.057  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.491   3.832  -0.970  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -5.399   4.541   0.222  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.782   3.952   1.321  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.260   2.654   1.229  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -3.377  -1.275  -1.699  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -4.345   1.912   0.040  0.00  0.00    +0.077 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10