REMARK  Name = BDB065046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.155   0.231  -0.887  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.169  -0.035  -0.485  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.218  -0.144  -1.418  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        0.933  -0.002  -2.779  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.370   0.252  -3.202  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.400   0.365  -2.268  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  10
ATOM      7  O   LIG    1       -4.701   3.025  -0.200  0.00  0.00    -0.226 OA
ATOM      8  C   LIG    1       -3.921   2.233   0.314  0.00  0.00    +0.401 C 
ATOM      9  O   LIG    1       -3.209   1.351  -0.418  0.00  0.00    -0.439 OA
ATOM     10  C   LIG    1       -2.328   0.321   0.117  0.00  0.00    +0.144 C 
ATOM     11  C   LIG    1       -1.865   0.705   1.530  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1       -3.039   1.185   2.350  0.00  0.00    +0.112 C 
ATOM     13  N   LIG    1       -3.723   2.230   1.659  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -4.355   2.843   2.159  0.00  0.00    +0.152 HD
BRANCH  10  15
ATOM     15  C   LIG    1       -3.095  -1.003   0.032  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -3.432  -1.915   1.198  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -2.401  -2.343   0.201  0.00  0.00    +0.008 C 
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        2.599  -0.405  -0.971  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.392  -1.570  -1.498  0.00  0.00    +0.256 A 
ATOM     20  O   LIG    1        2.942  -2.377  -2.305  0.00  0.00    -0.267 OA
ATOM     21  N   LIG    1        4.676  -1.690  -1.015  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1        5.199  -2.480  -1.377  0.00  0.00    +0.168 HD
ATOM     23  C   LIG    1        5.249  -0.833  -0.112  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        4.564   0.216   0.369  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1        3.197   0.425  -0.092  0.00  0.00    +0.027 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.130   1.190   1.362  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        4.393   1.226   2.502  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.155   2.454   0.870  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.402   0.884   1.727  0.00  0.00    -0.166 F 
ENDBRANCH  24  26
ENDBRANCH   3  18
TORSDOF 4