REMARK  Name = BDB059906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.919  -1.165   1.466  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.295  -0.059   0.904  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.059  -0.340   0.947  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.052   0.511   0.414  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.692   1.633  -0.149  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.648   1.956  -0.148  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.200  -1.554   1.562  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.655   1.200   0.341  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        0.958  -2.066   1.911  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.006   1.793   0.325  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.679   2.019  -0.885  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.955   2.585  -0.888  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.569   2.930   0.315  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.909   2.710   1.523  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.632   2.146   1.530  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1        3.350  -1.438   1.616  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1        3.829  -2.019   2.584  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.076  -1.020   0.538  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.829  -2.629   0.097  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        5.490  -1.242   0.610  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1       -2.376   0.129   0.492  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.634  -0.497   1.246  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.439   1.060   0.151  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.743   0.319   0.072  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.030  -0.571  -0.960  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.192  -1.013  -2.100  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.261  -1.724  -2.930  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.351  -2.114  -2.062  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.233  -1.266  -0.993  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.196  -1.117  -0.016  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.934  -0.226   1.024  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.722   0.478   1.060  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.500   1.312   2.086  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7