REMARK  Name = BDB055161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.773  -2.296  -2.621  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.989  -1.397  -2.849  0.00  0.00    +0.038 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.653   0.245   0.775  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -4.001   1.078  -0.129  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.473   0.546  -1.309  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.574  -0.825  -1.582  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -4.207  -1.657  -0.650  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.732  -1.124   0.529  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.162   0.697   1.959  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -6.940   1.464   3.291  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.316   1.557   1.887  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.364   1.081   0.864  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.956   3.041   1.685  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -4.859   3.563   1.819  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.016   3.821   1.375  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.632   4.721   1.313  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.591  -1.562  -1.990  0.00  0.00    +0.229 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.518  -2.463  -1.970  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.694  -1.988  -1.460  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.764  -2.881  -1.528  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.025  -2.524  -1.041  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.239  -1.259  -0.485  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        3.158  -0.372  -0.402  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        1.895  -0.731  -0.890  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.570  -0.930   0.044  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1        6.134   0.286  -0.052  0.00  0.00    +0.008 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.465   0.612   0.478  0.00  0.00    -0.025 A 
ATOM     28  C   LIG    1        7.673   1.871   1.058  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        8.932   2.229   1.548  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.998   1.337   1.452  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.807   0.089   0.863  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.549  -0.270   0.374  0.00  0.00    +0.008 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11