REMARK  Name = BDB061158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.853  -0.876  -0.570  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.828  -1.780  -0.130  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        3.044  -1.331   0.406  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        4.063  -2.326   0.884  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        3.293   0.049   0.451  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        2.320   0.976   0.050  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        2.550   2.458   0.137  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        1.114   0.498  -0.485  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -5.473   1.137   0.355  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -4.082   1.170   0.532  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -3.320   0.241  -0.143  0.00  0.00    +0.143 A 
ATOM     12  O   LIG    1       -1.950   0.132  -0.084  0.00  0.00    -0.451 OA
ATOM     13  C   LIG    1       -1.619  -0.931  -0.917  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1       -2.841  -1.523  -1.528  0.00  0.00    +0.231 C 
ATOM     15  O   LIG    1       -2.941  -2.454  -2.296  0.00  0.00    -0.283 OA
ATOM     16  C   LIG    1       -0.388  -1.404  -1.151  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -3.911  -0.703  -0.975  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -5.274  -0.763  -1.173  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -6.062   0.175  -0.494  0.00  0.00    +0.046 A 
BRANCH   9  21
ATOM     20  C   LIG    1       -7.566   2.113   0.935  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -6.150   2.095   1.061  0.00  0.00    -0.495 OA
ENDBRANCH   9  21
ENDBRANCH   1  16
BRANCH   5  22
ATOM     22  O   LIG    1        4.490   0.490   0.957  0.00  0.00    -0.480 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.437   0.674  -0.096  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.843   0.711   0.466  0.00  0.00    +0.343 C 
ATOM     25  O   LIG    1        7.710   1.522   0.177  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        7.119  -0.303   1.312  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        8.043  -0.138   1.593  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6