REMARK  Name = BDB048812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811  -0.033  -0.447  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        0.019  -1.232  -0.633  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -1.334  -0.989  -0.174  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.311   0.338   0.284  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -2.461   0.923   0.791  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.637   0.162   0.838  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.656  -1.164   0.374  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -2.491  -1.746  -0.142  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.041   0.930   0.113  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.493   2.260   0.534  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        0.544   2.579   1.897  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        0.954   3.848   2.311  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.312   4.807   1.365  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        1.262   4.499   0.007  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.852   3.230  -0.408  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1        0.462  -2.373  -1.367  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1        1.202  -2.147  -2.564  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1        0.192  -3.731  -0.911  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1        2.253   0.064  -0.751  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        2.783   0.987  -1.346  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        2.879  -1.020  -0.217  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1        4.584  -1.746  -1.776  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        4.294  -1.082  -0.443  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1       -4.746  -1.993   0.369  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -5.973  -1.449   0.841  0.00  0.00    +0.277 C 
ENDBRANCH   7  24
TORSDOF 6