REMARK  Name = BDB046827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.180   0.125   0.049  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.543   1.342   0.318  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.533   1.424   1.284  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.143   0.287   1.989  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.773  -0.929   1.716  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.781  -1.016   0.754  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.295   0.048  -0.967  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.689  -0.113  -0.336  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.163   1.254   0.194  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.969   1.983  -0.366  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.621   1.596   1.390  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.958   0.965   1.736  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.534  -0.635  -1.366  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -8.658  -0.801  -0.142  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -7.564  -1.522  -0.922  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -8.152  -2.171  -2.171  0.00  0.00    +0.037 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.180   0.218   2.955  0.00  0.00    -0.484 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.587   1.394   3.253  0.00  0.00    +0.308 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.676   1.670   2.274  0.00  0.00    +0.209 A 
ATOM     20  N   LIG    1        2.697   0.784   2.025  0.00  0.00    -0.188 NA
ATOM     21  C   LIG    1        3.406   1.419   1.117  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        2.897   2.651   0.809  0.00  0.00    -0.333 OA
ATOM     23  N   LIG    1        1.750   2.820   1.588  0.00  0.00    -0.057 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.621   1.007   0.424  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.260   1.828  -0.516  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.425   1.403  -1.163  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.983   0.147  -0.889  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        6.345  -0.675   0.050  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.180  -0.249   0.697  0.00  0.00    +0.013 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.248  -0.292  -1.605  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        9.400  -0.520  -0.624  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        8.006  -1.537  -2.462  0.00  0.00    +0.012 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11