REMARK  Name = BDB018887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.732   0.650  -0.396  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.410   0.295  -0.244  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.438   1.270   0.246  0.00  0.00    +0.143 C 
ATOM      4  C   LIG    1       -0.843   0.500   0.274  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -0.641  -0.795  -0.216  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -1.685  -1.700  -0.293  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -2.952  -1.287   0.133  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.165   0.017   0.623  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.094   0.920   0.696  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.788  -0.979  -0.609  0.00  0.00    +0.143 C 
ATOM     11  O   LIG    1        3.124   1.780  -0.091  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.489   0.425   1.049  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.749   0.388   0.378  0.00  0.00    +0.173 A 
ATOM     14  N   LIG    1       -6.729   0.861   1.179  0.00  0.00    -0.169 NA
ATOM     15  N   LIG    1       -6.101   1.201   2.313  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -6.654   1.590   3.071  0.00  0.00    +0.188 HD
ATOM     17  C   LIG    1       -4.761   0.964   2.287  0.00  0.00    +0.114 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -6.008  -0.095  -1.026  0.00  0.00    +0.437 C 
ATOM     19  F   LIG    1       -7.241   0.236  -1.495  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -5.910  -1.450  -1.119  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -5.112   0.416  -1.915  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   8  12
BRANCH   1  23
ATOM     22  N   LIG    1        4.933   0.125  -1.530  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1        3.699  -0.434  -0.901  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1        4.227  -1.271   0.263  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        5.434  -0.478   0.734  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        6.053   0.039  -0.557  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1        4.929   1.559  -3.571  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        4.933   0.909  -2.615  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 4