REMARK  Name = BDB063578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.738  -1.562  -2.589  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.025   0.008  -2.571  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.922  -0.718  -1.855  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.089  -1.310  -0.592  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.056  -2.080  -0.026  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.207  -2.865   1.248  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.816  -2.145  -0.682  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.609  -1.502  -1.907  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -1.667  -0.790  -2.482  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.305  -1.239   0.030  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.505  -0.173   1.000  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.250   0.473   1.606  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.407   0.900   0.381  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.322  -0.814   2.140  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.567  -0.278   3.212  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.796  -2.049   1.831  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.481  -2.300   0.934  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.603  -0.491  -2.151  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.465  -0.581  -1.091  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.612  -1.589  -0.414  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.115   0.657  -0.953  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        2.647   1.585  -1.958  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        1.647   0.744  -2.716  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        1.001   1.133  -3.680  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.102   1.011   0.007  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.568   0.103   0.966  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.546   0.469   1.901  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.093   1.756   1.900  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.626   2.675   0.954  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.649   2.305   0.021  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.132   2.147   2.922  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.581   2.467   4.125  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.030   1.154   3.171  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.871   3.230   2.550  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8