REMARK  Name = BDB046716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.392  -0.190   0.412  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        2.360   0.612  -0.087  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.103   0.067  -0.374  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.862  -1.290  -0.162  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.889  -2.094   0.336  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.145  -1.552   0.621  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.759   0.393   0.703  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.744   0.202  -0.461  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.189   0.154  -0.035  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1        8.072  -0.159  -0.832  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1        8.775   0.506   1.654  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        7.403   0.514   1.252  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        5.580   1.251  -1.541  0.00  0.00    +0.319 C 
ATOM     14  O   LIG    1        4.764   2.161  -1.517  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.423   1.100  -2.593  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        7.112   0.407  -2.475  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.313  -1.947  -0.399  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.399  -1.170  -0.903  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.603  -2.091  -1.092  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.732  -1.379  -1.597  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.567  -0.759  -0.710  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -5.662  -0.120  -1.300  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -6.612   0.569  -0.527  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1       -6.455   0.616   0.875  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -7.402   1.304   1.651  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -8.491   1.937   1.050  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -8.647   1.891  -0.332  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.353  -0.026   1.459  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -7.714   1.211  -1.117  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -4.416  -0.708   0.673  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11