REMARK  Name = BDB048817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.045   0.178  -1.325  0.00  0.00    +0.155 C 
ATOM      2  C   LIG    1        1.286   0.371  -0.098  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        2.243   0.258   0.927  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1        1.862   0.364   2.254  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.514   0.603   2.538  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.441   0.735   1.512  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        3.584   0.005   0.355  0.00  0.00    -0.012 C 
ATOM      8  C   LIG    1       -0.051   0.613   0.176  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.434  -0.037  -0.986  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        4.883  -0.135   1.019  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        5.682  -1.266   0.803  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        6.917  -1.393   1.442  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.364  -0.392   2.302  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.577   0.736   2.525  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.342   0.864   1.887  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   1  17
ATOM     16  C   LIG    1        2.396   0.135  -3.826  0.00  0.00    +0.190 C 
ATOM     17  N   LIG    1        1.517   0.188  -2.659  0.00  0.00    -0.182 N 
ATOM     18  O   LIG    1        0.102   0.239  -2.845  0.00  0.00    -0.173 OA
ENDBRANCH   1  17
BRANCH   6  19
ATOM     19  O   LIG    1       -1.713   0.962   1.964  0.00  0.00    -0.491 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.739   1.261   1.011  0.00  0.00    +0.244 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.421  -0.027   0.521  0.00  0.00    +0.125 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.481   0.207  -0.478  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.872  -1.073  -1.113  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -6.016  -0.876  -2.119  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -7.165  -0.295  -1.488  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -6.814   0.971  -0.913  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -5.685   0.823   0.121  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 6