REMARK  Name = BDB008848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.596   1.817   1.326  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.121   2.318   2.523  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1       -0.397   2.228   3.651  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -2.376   2.914   2.577  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -3.138   3.013   1.415  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.647   2.506   0.201  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -1.364   1.923   0.165  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        1.038   0.528  -0.800  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.410   0.654   0.360  0.00  0.00    +0.218 C 
ATOM     10  N   LIG    1        0.691   1.239   1.388  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        1.119   1.254   2.309  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.764   0.160   0.842  0.00  0.00    +0.111 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.571  -0.476  -0.295  0.00  0.00    +0.093 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.914  -0.953   0.062  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        5.897   0.123   0.224  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        7.123  -0.283   1.053  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        7.484  -1.746   0.833  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.298  -2.663   1.145  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        4.948  -1.937   1.136  0.00  0.00    +0.084 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  20
ATOM     20  C   LIG    1       -3.474   2.641  -1.059  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.555   1.370  -1.900  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.322   0.189  -1.392  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -5.068   0.249  -0.089  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.069  -0.896   0.088  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.457  -2.227  -0.328  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.011  -2.192  -1.791  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.317  -0.911  -2.166  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.600  -0.905  -3.466  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.587  -1.888  -4.200  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.973   0.265  -3.797  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.461   0.285  -4.673  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.932   1.392  -3.040  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6