REMARK  Name = BDB059122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.221  -0.901   0.952  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -1.147  -2.193   0.115  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.114  -2.043  -0.744  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        1.058  -1.229   0.144  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1        0.130  -0.180   0.760  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.333   1.829  -1.616  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.848   1.203  -0.459  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -4.250   1.102   0.901  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -3.321   0.322   1.556  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -2.368  -0.062   0.641  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -2.676   0.470  -0.589  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -1.962   0.305  -1.716  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -2.529   0.943  -2.756  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -3.649   1.690  -2.767  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.481   2.606  -1.646  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.505   3.183  -2.478  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.715   3.058  -0.774  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.977  -3.317   0.997  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -0.492  -3.976   0.455  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.658  -3.326  -1.053  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.566  -3.152  -1.383  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.231  -0.642  -0.650  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.208   0.130   0.212  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        3.320   1.523   0.077  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.213   2.232   0.877  0.00  0.00    +0.159 A 
ATOM     26  F   LIG    1        4.307   3.561   0.733  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        4.999   1.573   1.813  0.00  0.00    +0.158 A 
ATOM     28  F   LIG    1        5.857   2.259   2.580  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        4.902   0.194   1.963  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.009  -0.526   1.165  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1        2.923  -1.714  -1.304  0.00  0.00    -0.387 OA
ATOM     32  H   LIG    1        3.812  -1.384  -1.531  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7