REMARK  Name = BDB008528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.211   0.184   0.388  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.470   0.339   0.830  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.447  -0.368   0.235  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.179  -1.269  -0.771  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.868  -1.375  -1.153  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.123  -0.660  -0.597  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.741   0.954   1.052  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.278   1.510   1.755  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -4.231   0.898  -0.347  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -2.844   0.676  -0.213  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.106   1.190   0.860  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.799   1.933   1.826  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.170   2.165   1.716  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.883   1.649   0.636  0.00  0.00    +0.004 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.261   0.977  -1.935  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -4.959   0.273  -1.530  0.00  0.00    +0.025 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.168  -1.241  -1.347  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.072  -1.596  -0.187  0.00  0.00    +0.211 C 
ATOM     19  O   LIG    1       -7.287  -1.719  -0.292  0.00  0.00    -0.276 OA
ATOM     20  N   LIG    1       -5.447  -1.775   1.012  0.00  0.00    -0.329 N 
ATOM     21  H   LIG    1       -6.052  -1.893   1.814  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.538  -1.361   1.180  0.00  0.00    +0.145 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  N   LIG    1        3.736  -0.179   0.745  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        3.680   0.479   1.517  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.992  -0.158   0.112  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        6.139  -0.270   0.913  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        7.430  -0.274   0.356  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        7.566  -0.176  -1.034  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.438  -0.061  -1.843  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.162  -0.053  -1.272  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.641  -0.423   1.242  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        8.946  -1.727   1.485  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.766   0.133   0.711  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.482   0.159   2.463  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 8