REMARK  Name = BDB008889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -0.049   0.950  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -0.258   0.082   2.339  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1       -1.223   0.817   2.912  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.685  -0.531   3.158  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.711  -1.286   2.590  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.808  -1.419   1.197  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.834  -0.808   0.388  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.250   0.606   0.078  0.00  0.00    +0.122 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -2.439  -1.372  -0.673  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -2.542  -0.109   0.065  0.00  0.00    -0.300 NA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.586   0.769  -0.514  0.00  0.00    +0.103 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.040   0.255  -0.343  0.00  0.00    +0.070 C 
ATOM     13  N   LIG    1       -6.131   1.097  -0.902  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -5.991   2.524  -0.614  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -7.345   0.552  -0.273  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -6.952   0.160   1.144  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -5.434   0.027   1.119  0.00  0.00    +0.021 C 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  18
ATOM     18  C   LIG    1        2.910  -2.259   0.590  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.633  -1.580  -0.571  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.739  -0.612  -0.289  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        5.132  -0.277   1.122  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        6.058   0.940   1.225  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        7.136   0.907   0.149  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.513   0.881  -1.248  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        5.354  -0.071  -1.356  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.905  -0.414  -2.728  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        5.431   0.075  -3.723  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        3.871  -1.306  -2.814  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        3.553  -1.558  -3.744  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        3.235  -1.896  -1.768  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 6