REMARK  Name = BDB055597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.243  -0.368  -0.087  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        1.846  -1.050  -1.248  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.560  -1.586  -1.363  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.361  -1.438  -0.328  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.019  -0.784   0.841  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.309  -0.249   0.955  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        7.572   1.877   0.413  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        6.206   1.275   0.269  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        5.703   0.416   1.251  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.416  -0.120   1.132  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.597   0.196   0.037  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.108   1.071  -0.934  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        5.394   1.609  -0.818  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  O   LIG    1       -1.577  -2.030  -0.539  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.717  -1.416   0.095  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.095  -2.217   1.341  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1       -3.970  -1.896   2.133  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.370  -3.354   1.493  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -1.714  -3.441   0.767  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1       -3.883  -1.465  -0.906  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.643  -0.160  -0.959  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.294   0.825  -1.893  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.980   2.041  -1.926  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.015   2.283  -1.024  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.364   1.312  -0.088  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.681   0.096  -0.053  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 7