REMARK  Name = BDB052908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.050  -0.100   3.579  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -0.816   0.056   2.287  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.619  -1.043   1.223  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -1.751  -1.120   0.166  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -2.357   0.225  -0.003  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.206   1.192   0.958  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -2.901   2.278   0.508  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -3.027   3.168   0.975  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -3.442   2.089  -0.715  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -3.127   0.823  -1.013  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -1.534   1.136   2.125  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.776  -2.133   0.581  0.00  0.00    +0.113 A 
ATOM     13  O   LIG    1       -2.630  -3.380   0.047  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -3.631  -4.148   0.546  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -4.420  -3.414   1.400  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -3.868  -2.112   1.427  0.00  0.00    +0.045 A 
ENDBRANCH   4  12
BRANCH   3  17
ATOM     17  C   LIG    1        0.732  -0.896   0.533  0.00  0.00    +0.227 C 
ATOM     18  N   LIG    1        0.927   0.315  -0.106  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.201   1.017  -0.005  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.537  -1.824   0.573  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.047   0.723  -0.860  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.018   2.019  -1.390  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        3.085   2.506  -2.152  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.209   1.705  -2.395  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        4.230   0.405  -1.872  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        3.160  -0.080  -1.110  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.353   2.217  -3.235  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        6.552   1.660  -2.906  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.530   3.564  -3.129  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.175   1.967  -4.561  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 4