REMARK  Name = BDB060537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.349   0.696   0.666  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.458  -1.450   0.358  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        2.730  -1.117  -0.784  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.518  -0.429  -0.682  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.998  -0.060   0.573  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.746  -0.398   1.714  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.962  -1.087   1.608  0.00  0.00    +0.046 A 
BRANCH   2   9
ATOM      8  C   LIG    1        5.413  -2.464   1.250  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1        4.625  -2.122   0.117  0.00  0.00    -0.495 OA
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  C   LIG    1       -0.167   2.090  -0.006  0.00  0.00    +0.082 A 
ATOM     11  N   LIG    1       -0.415   2.212  -1.343  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -0.208   3.416  -1.921  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        0.244   4.530  -1.239  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.508   4.403   0.118  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.307   3.174   0.742  0.00  0.00    +0.027 A 
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  C   LIG    1       -1.558  -0.127   0.145  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1       -2.744   0.508  -0.272  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -3.860  -0.228  -0.683  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -3.838  -1.628  -0.661  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -2.676  -2.273  -0.224  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -1.560  -1.535   0.186  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.031  -2.424  -1.129  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -5.153  -3.625  -0.497  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.979  -2.705  -2.460  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.216  -1.780  -0.929  0.00  0.00    -0.166 F 
ENDBRANCH  19  22
ENDBRANCH   1  16
BRANCH   1  26
ATOM     26  O   LIG    1       -0.643   0.923   2.068  0.00  0.00    -0.374 OA
ATOM     27  H   LIG    1       -1.507   0.519   2.250  0.00  0.00    +0.212 HD
ENDBRANCH   1  26
TORSDOF 6