REMARK  Name = BDB047311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.187   0.949  -0.823  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.291   0.139   0.327  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -0.860  -0.254   1.038  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.124   0.037   0.494  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.240   0.752  -0.697  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.091   1.238  -1.327  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.558   1.097  -1.292  0.00  0.00    +0.168 C 
ATOM      8  O   LIG    1       -3.728   2.272  -1.621  0.00  0.00    -0.291 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -4.657   0.029  -1.488  0.00  0.00    +0.025 C 
ATOM     10  C   LIG    1       -5.415   0.385  -2.786  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -5.645   0.094  -0.317  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.110  -1.397  -1.655  0.00  0.00    +0.019 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  C   LIG    1        1.385   1.573  -1.507  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1        3.254   3.256  -1.361  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        2.045   2.661  -0.657  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  O   LIG    1        1.520  -0.208   0.832  0.00  0.00    -0.472 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.164  -1.248   0.073  0.00  0.00    +0.311 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.640  -0.892  -0.074  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.353  -0.297   0.979  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.705   0.020   0.832  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.362  -0.263  -0.362  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.672  -0.866  -1.412  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.320  -1.183  -1.269  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  C   LIG    1        2.032  -2.634   0.727  0.00  0.00    +0.351 C 
ATOM     25  O   LIG    1        1.750  -2.902   1.884  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.277  -3.647  -0.142  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        2.198  -4.451   0.414  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   2  16
BRANCH   3  28
ATOM     28  C   LIG    1       -0.782  -0.957   2.378  0.00  0.00    +0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.448  -0.162   3.509  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -1.298  -0.871   4.846  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 11