REMARK  Name = BDB048828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.065   0.512   0.173  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.339   0.600  -0.159  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -1.881  -0.743  -0.255  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.806  -1.585   0.076  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.985  -2.957   0.115  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -2.250  -3.468  -0.196  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.321  -2.620  -0.543  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -3.137  -1.236  -0.569  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.414  -0.785   0.342  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.762  -1.256   0.675  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        2.351  -0.927   1.903  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.639  -1.373   2.208  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.344  -2.150   1.290  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.764  -2.483   0.067  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.477  -2.038  -0.240  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   1  16
ATOM     16  C   LIG    1        0.986   1.650   0.265  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        0.914   2.508   1.130  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        1.867   1.599  -0.762  0.00  0.00    -0.462 OA
BRANCH  18  20
ATOM     19  C   LIG    1        4.047   2.241   0.067  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        2.857   2.636  -0.788  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   2  21
ATOM     21  N   LIG    1       -2.058   1.784  -0.511  0.00  0.00    -0.179 N 
ATOM     22  O   LIG    1       -2.848   1.741  -1.703  0.00  0.00    -0.173 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.147   2.940   0.387  0.00  0.00    +0.157 C 
ATOM     24  C   LIG    1       -1.593   4.143  -0.347  0.00  0.00    +0.030 C 
ENDBRANCH  21  23
ENDBRANCH   2  21
BRANCH   7  25
ATOM     25  O   LIG    1       -4.489  -3.276  -0.828  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1       -5.574  -2.478  -1.290  0.00  0.00    +0.277 C 
ENDBRANCH   7  25
TORSDOF 7