REMARK  Name = BDB019096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.731  -0.173  -0.676  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.057  -0.493   0.461  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.422  -0.505   0.289  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.968  -0.903   1.481  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.052  -1.065   2.413  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.044  -0.181  -0.928  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.318   0.092  -1.978  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.144  -0.813   1.784  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.057   0.083  -1.821  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.028  -0.112  -0.715  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.332  -1.295  -0.432  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.934  -1.311  -0.422  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.207  -0.147  -0.700  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.900   1.036  -0.984  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.297   1.052  -0.994  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.543  -0.094  -0.742  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.923   0.544   1.570  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.135   0.905   0.166  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        8.568   1.037  -0.102  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.419  -0.166  -1.020  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.652  -0.186  -2.015  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.137   0.967  -0.439  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.610   0.667  -0.398  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -6.319   0.330   0.779  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -7.684   0.065   0.694  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1       -8.188  -0.237   1.921  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -7.159  -0.169   2.802  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -8.424   0.105  -0.485  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -7.722   0.436  -1.645  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.994   0.176   2.157  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -6.356   0.707  -1.594  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.728   1.015  -2.739  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6