REMARK  Name = BDB045764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.202   1.319  -1.126  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.893   1.399  -0.250  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.896   0.402  -0.162  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -3.045   0.587   0.838  0.00  0.00    -0.010 C 
ATOM      5  C   LIG    1       -4.196  -0.410   0.575  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1       -3.684  -1.819   0.329  0.00  0.00    +0.012 C 
ATOM      7  C   LIG    1       -2.791  -1.897  -0.929  0.00  0.00    -0.010 C 
ATOM      8  C   LIG    1       -2.094  -3.278  -0.885  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -3.667  -1.835  -2.200  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -2.494   0.387   2.268  0.00  0.00    +0.016 C 
ATOM     11  C   LIG    1       -3.665   2.002   0.749  0.00  0.00    +0.016 C 
ATOM     12  C   LIG    1       -1.776  -0.748  -0.974  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -0.702  -0.812  -1.883  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        0.258   0.198  -1.958  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        2.685   2.172  -0.728  0.00  0.00    +0.023 C 
ATOM     16  C   LIG    1        1.256   2.421  -1.207  0.00  0.00    -0.000 C 
ATOM     17  C   LIG    1        1.076   3.348  -2.390  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        1.767   3.050   0.076  0.00  0.00    +0.020 C 
BRANCH  15  20
ATOM     19  C   LIG    1        3.858   0.761   0.972  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1        3.103   0.892  -0.133  0.00  0.00    -0.022 C 
BRANCH  19  22
ATOM     21  C   LIG    1        3.704  -1.776   1.062  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.293  -0.492   1.591  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        5.159  -0.424   2.623  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.764  -1.532   3.375  0.00  0.00    +0.330 C 
ATOM     25  O   LIG    1        6.082  -1.471   4.550  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.041  -2.610   2.629  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        6.474  -3.223   3.256  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  22
ENDBRANCH  15  20
ENDBRANCH   1  16
TORSDOF 5