REMARK  Name = BDB055598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.283   0.041   0.176  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.571  -0.638  -0.823  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.250  -1.054  -0.614  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.380  -0.797   0.602  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.323  -0.119   1.601  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.641   0.296   1.394  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.837   2.704  -0.974  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.946   1.753  -0.604  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -3.672   0.476  -0.051  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -4.757  -0.376   0.280  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -4.532  -1.743   0.873  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.075   0.053   0.057  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.331   1.308  -0.487  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.275   2.152  -0.815  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  O   LIG    1        1.659  -1.129   0.945  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.458  -1.897   0.046  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.493  -2.740   0.793  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        4.405  -3.372   0.274  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.316  -2.803   2.127  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        4.058  -3.354   2.449  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        3.166  -0.997  -0.984  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.147  -0.005  -0.396  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        5.523  -0.272  -0.408  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.427   0.640   0.140  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.965   1.827   0.705  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.599   2.103   0.723  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.694   1.192   0.175  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 7