REMARK  Name = BDB060561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.899  -2.339   0.322  0.00  0.00    +0.042 C 
ATOM      2  C   LIG    1        1.727  -1.957  -0.662  0.00  0.00    -0.023 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.428  -1.723   0.612  0.00  0.00    +0.156 C 
ATOM      4  O   LIG    1       -1.078  -2.185   1.549  0.00  0.00    -0.293 OA
BRANCH   3   5
ATOM      5  C   LIG    1       -0.907  -0.553  -0.234  0.00  0.00    +0.079 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.310  -0.065   0.137  0.00  0.00    +0.008 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.407  -0.996  -0.386  0.00  0.00    +0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.818  -0.633   0.091  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.330   0.727  -0.395  0.00  0.00    -0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -5.671   3.170   0.120  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -5.149   1.840   0.640  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   2  12
ATOM     12  C   LIG    1        3.075  -2.581  -0.898  0.00  0.00    +0.027 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.205  -1.546  -0.873  0.00  0.00    +0.004 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.398  -0.909   0.508  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.501   0.155   0.545  0.00  0.00    +0.011 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.270   1.356  -0.370  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.954   2.043  -0.103  0.00  0.00    +0.305 C 
ATOM     18  O   LIG    1        2.956   1.894  -0.793  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.970   2.829   0.994  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1        4.830   2.848   1.456  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 14