REMARK  Name = BDB055601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.601   1.656   0.429  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.051   0.289   0.113  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1        2.909  -0.806  -0.133  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        2.337  -2.054  -0.422  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.951  -2.216  -0.472  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.101  -1.138  -0.234  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        0.654   0.110   0.055  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        4.372  -0.683  -0.095  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        5.085  -0.250  -1.223  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        6.476  -0.138  -1.187  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.172  -0.459  -0.023  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.479  -0.894   1.104  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.087  -1.006   1.068  0.00  0.00    +0.008 A 
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  O   LIG    1       -1.229  -1.442  -0.317  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.189  -0.422  -0.027  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.309  -0.184   1.475  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1       -2.445  -1.026   2.349  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.260   1.126   1.804  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -2.369   1.127   2.778  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1       -3.541  -0.933  -0.550  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.634   0.107  -0.528  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.688   1.102  -1.514  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.689   2.074  -1.482  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.642   2.062  -0.466  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.597   1.077   0.519  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.598   0.103   0.489  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 7