REMARK  Name = BDB064747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.050  -0.914  -0.153  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        1.154  -0.087   0.098  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.468  -0.479  -0.229  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.642  -1.747  -0.810  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.555  -2.590  -1.052  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.265  -2.175  -0.719  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.593   0.436   0.044  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        4.672   0.040   0.852  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        5.719   0.923   1.115  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        5.717   2.209   0.591  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        4.658   2.620  -0.213  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.606   1.741  -0.484  0.00  0.00    +0.009 A 
BRANCH   9  13
ATOM     13  O   LIG    1        6.777   0.555   1.894  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        6.662  -0.379   2.138  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -2.396  -0.666  -0.484  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -1.288  -0.453   0.245  0.00  0.00    +0.008 C 
BRANCH  15  19
ATOM     17  C   LIG    1       -6.123  -0.618  -0.024  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -4.836  -1.032  -0.360  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -3.736  -0.208  -0.089  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -3.955   1.046   0.497  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -5.252   1.442   0.826  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -6.341   0.618   0.573  0.00  0.00    +0.090 A 
BRANCH  17  23
ATOM     23  O   LIG    1       -7.156  -1.465  -0.302  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1       -7.983  -1.046  -0.011  0.00  0.00    +0.292 HD
ENDBRANCH  17  23
BRANCH  21  25
ATOM     25  O   LIG    1       -5.499   2.655   1.401  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -4.655   3.126   1.512  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   4  27
ATOM     27  O   LIG    1        3.900  -2.169  -1.151  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1        3.832  -3.001  -1.645  0.00  0.00    +0.292 HD
ENDBRANCH   4  27
TORSDOF 7