REMARK  Name = BDB048819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.903   0.552   0.493  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.644   1.160   0.875  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.560   0.430   0.242  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.194  -0.584  -0.491  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.445  -1.484  -1.232  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.952  -1.363  -1.221  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.583  -0.349  -0.479  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.816   0.558   0.262  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.666  -0.490  -0.339  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.691  -1.318  -0.981  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.509  -0.784  -1.985  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.485  -1.577  -2.592  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.647  -2.905  -2.201  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.834  -3.444  -1.205  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.857  -2.653  -0.597  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.466   2.263   1.770  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -0.405   3.180   1.492  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -2.252   2.419   2.990  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -4.226   1.048   0.903  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.550   2.224   0.841  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.963   0.035   1.418  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -7.255   0.285   0.688  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -6.286   0.379   1.851  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        2.934  -0.144  -0.395  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.777  -0.990  -1.172  0.00  0.00    +0.256 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.224  -0.614  -0.998  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        5.697   0.387  -0.237  0.00  0.00    +0.007 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.121   0.727  -0.111  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1        8.122  -0.251  -0.038  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        9.463   0.114   0.112  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.815   1.459   0.200  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.827   2.440   0.145  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.487   2.075  -0.004  0.00  0.00    +0.008 A 
ENDBRANCH  27  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 9