REMARK  Name = BDB061156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.812  -0.587  -2.382  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        2.778  -0.074  -0.970  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        3.763   0.788  -0.457  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.636   1.329   0.831  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        4.579   2.367   1.371  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.589   0.881   1.653  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.634  -0.029   1.186  0.00  0.00    -0.021 A 
ATOM      8  C   LIG    1        1.740  -0.501  -0.127  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.581  -0.482   2.101  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1       -0.714  -0.625   1.788  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -1.740  -1.072   2.768  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -1.606  -1.380   3.932  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.968  -1.055   1.986  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -2.635  -0.636   0.703  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -3.596  -0.517  -0.277  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1       -4.923  -0.835   0.052  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -5.249  -1.254   1.359  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.261  -1.370   2.346  0.00  0.00    +0.019 A 
ATOM     19  O   LIG    1       -1.295  -0.368   0.550  0.00  0.00    -0.451 OA
BRANCH  16  20
ATOM     20  O   LIG    1       -5.801  -0.681  -0.985  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -7.160  -1.089  -0.817  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.979   0.046  -0.280  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -8.479   1.130  -1.201  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -9.449   0.147  -0.602  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   7   9
BRANCH   3  25
ATOM     25  O   LIG    1        4.794   1.149  -1.275  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.072   0.536  -1.046  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1        6.351  -0.384  -2.251  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        7.086   1.695  -1.133  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1        6.400  -0.291   0.239  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1        7.319  -0.038   1.008  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.609  -1.373   0.441  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        4.860  -1.440  -0.180  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8