REMARK  Name = BDB046881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.854  -0.595   0.744  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.550  -0.098   0.709  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.684  -0.522  -0.305  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1       -1.132  -1.416  -1.317  0.00  0.00    +0.114 A 
ATOM      5  C   LIG    1       -2.483  -1.924  -1.331  0.00  0.00    +0.201 A 
ATOM      6  O   LIG    1       -2.944  -2.714  -2.231  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1       -3.308  -1.472  -0.258  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.100  -1.772  -2.385  0.00  0.00    +0.391 C 
ATOM      9  O   LIG    1        0.683  -2.756  -2.145  0.00  0.00    -0.240 OA
ATOM     10  O   LIG    1        0.035  -0.958  -3.364  0.00  0.00    -0.240 OA
ENDBRANCH   4   8
BRANCH   1  12
ATOM     11  C   LIG    1       -3.608  -0.697   2.951  0.00  0.00    +0.252 C 
ATOM     12  O   LIG    1       -3.768  -0.127   1.662  0.00  0.00    -0.472 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  C   LIG    1       -1.109   0.866   1.680  0.00  0.00    +0.054 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.604   1.900   2.705  0.00  0.00    -0.030 C 
ATOM     15  C   LIG    1       -0.180   2.772   3.562  0.00  0.00    -0.048 C 
ATOM     16  C   LIG    1       -1.117   3.884   4.075  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1        1.266   2.736   4.090  0.00  0.00    +0.026 C 
ENDBRANCH  13  14
ENDBRANCH   2  13
BRANCH   3  18
ATOM     18  C   LIG    1        0.665  -0.019  -0.317  0.00  0.00    +0.031 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.111   0.508  -0.354  0.00  0.00    +0.030 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.460   0.961  -0.464  0.00  0.00    -0.038 A 
ATOM     21  C   LIG    1        4.190   0.659  -1.614  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.510   1.097  -1.738  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.098   1.836  -0.711  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.368   2.137   0.440  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.048   1.699   0.564  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   7  26
ATOM     26  C   LIG    1       -4.679  -1.919  -0.207  0.00  0.00    +0.058 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.104  -2.488  -0.297  0.00  0.00    -0.030 C 
ATOM     28  C   LIG    1       -7.287  -2.992  -0.433  0.00  0.00    -0.048 C 
ATOM     29  C   LIG    1       -8.443  -2.105  -0.962  0.00  0.00    +0.026 C 
ATOM     30  C   LIG    1       -7.709  -4.226   0.404  0.00  0.00    +0.026 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 9