REMARK  Name = BDB052617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.620  -1.214   2.290  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -3.812  -0.664   2.004  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        1.004  -0.915   0.031  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.150  -1.432  -0.561  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.340  -1.535   0.165  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.391  -1.109   1.495  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.231  -0.604   2.091  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        0.960  -0.503   1.362  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1        2.096  -0.870  -0.791  0.00  0.00    -0.492 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.305  -0.346  -0.240  0.00  0.00    +0.229 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.373  -0.397  -1.332  0.00  0.00    +0.041 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.760   0.034  -0.857  0.00  0.00    +0.003 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.253   1.914  -0.092  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        5.832   1.506  -0.450  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1       -4.131   0.184   0.842  0.00  0.00    -0.007 A 
ATOM     16  C   LIG    1       -5.058  -0.185  -0.160  0.00  0.00    +0.107 A 
ATOM     17  C   LIG    1       -5.271   0.697  -1.238  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -4.604   1.920  -1.316  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.705   2.285  -0.322  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.471   1.424   0.748  0.00  0.00    +0.009 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -5.800  -1.477  -0.058  0.00  0.00    +0.341 C 
ATOM     22  O   LIG    1       -5.933  -2.194   0.914  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.371  -1.841  -1.229  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -6.782  -2.706  -1.002  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  16  21
BRANCH  17  25
ATOM     25  O   LIG    1       -6.130   0.445  -2.277  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1       -6.429  -0.485  -2.192  0.00  0.00    +0.292 HD
ENDBRANCH  17  25
ENDBRANCH   2  15
TORSDOF 10