REMARK  Name = BDB047302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.747  -0.311  -0.978  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -1.528  -0.515  -0.298  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -1.209   0.251   0.840  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.067   1.302   1.212  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.250   1.560   0.513  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.591   0.738  -0.564  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.119   2.688   0.970  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -3.735   3.405   1.892  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.449   2.914   0.269  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.226   4.075   0.868  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -3.236  -1.221  -2.086  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.861   0.449  -3.927  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -2.974  -0.715  -3.509  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -0.691  -1.542  -0.665  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.186  -1.198  -1.750  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.606  -1.033  -1.226  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.258  -2.095  -0.582  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        3.563  -1.944  -0.113  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.242  -0.731  -0.275  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        3.594   0.330  -0.920  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.288   0.182  -1.391  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.646  -0.562   0.258  0.00  0.00    +0.038 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.721  -0.480   1.795  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1        7.184  -0.515   2.245  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        5.044   0.782   2.338  0.00  0.00    +0.007 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1        0.141  -2.270  -2.869  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1       -0.687  -3.168  -2.955  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        1.092  -2.117  -3.831  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        1.759  -1.429  -3.636  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  15  26
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  30
ATOM     30  C   LIG    1       -0.011  -0.028   1.723  0.00  0.00    +0.038 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.068  -1.363   2.473  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -1.192  -1.423   3.498  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 13