REMARK  Name = BDB047029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.498   3.124   1.451  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.186   3.015   0.091  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.600   3.152   0.240  0.00  0.00    -0.492 OA
BRANCH   3   7
ATOM      4  C   LIG    1        5.137  -0.137   0.727  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1        5.616   1.153   0.473  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.728   2.220   0.319  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.349   2.021   0.406  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.866   0.739   0.660  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.753  -0.333   0.818  0.00  0.00    +0.007 A 
BRANCH   4  10
ATOM     10  C   LIG    1        6.097  -1.293   0.891  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.658  -1.866  -0.426  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.306  -1.395  -2.083  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1        7.572  -0.912  -0.965  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1        5.508  -2.360  -1.333  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1        5.233  -1.915  -2.438  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.830  -3.419  -0.816  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1        5.155  -3.739   0.045  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.018   3.032   1.331  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.355   1.745   0.810  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.678   1.494   0.577  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -2.936   0.268  -0.044  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.245  -0.122  -0.342  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -5.312   0.715  -0.001  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -5.055   1.950   0.605  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -3.743   2.335   0.899  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -6.720   0.355  -0.307  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1       -7.515   1.245  -0.599  0.00  0.00    -0.287 OA
BRANCH  26  28
ATOM     28  C   LIG    1       -7.191  -1.052  -0.269  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -8.165  -1.455  -1.189  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -8.640  -2.767  -1.176  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.152  -3.675  -0.236  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.197  -3.272   0.697  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.718  -1.960   0.688  0.00  0.00    +0.012 A 
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13