REMARK  Name = BDB049885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.127  -1.882  -1.067  0.00  0.00    -0.296 N 
ATOM      2  C   LIG    1       -1.272  -1.060  -0.862  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.447  -1.224  -1.621  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.557  -0.382  -1.418  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.551   0.607  -0.427  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.409   0.767   0.369  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.556  -2.301  -2.667  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.575  -3.420  -2.374  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.305  -0.086   0.155  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.192  -2.820  -2.207  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        4.454   3.850   0.675  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        5.387   2.675   0.836  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1        4.867   1.412   0.573  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1        3.609   1.215  -0.142  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        3.086  -0.196  -0.024  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1        1.778  -0.430  -0.593  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        1.141  -1.612  -0.520  0.00  0.00    +0.100 A 
ATOM     18  C   LIG    1        1.880  -2.755   0.165  0.00  0.00    +0.273 A 
ATOM     19  N   LIG    1        3.147  -2.466   0.693  0.00  0.00    -0.314 N 
ATOM     20  C   LIG    1        3.843  -3.550   1.377  0.00  0.00    +0.152 C 
ATOM     21  O   LIG    1        1.364  -3.872   0.234  0.00  0.00    -0.266 OA
ATOM     22  C   LIG    1        3.740  -1.205   0.583  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.120  -0.974   1.154  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        5.784   0.280   0.587  0.00  0.00    +0.114 C 
ATOM     25  O   LIG    1        6.549   2.856   1.198  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1       -4.736   1.422  -0.266  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.495   1.487   0.882  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.529   2.334   0.605  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.597   2.722   1.494  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.499   2.823  -0.649  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.417   2.251  -1.184  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.322   1.807   1.457  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.034   2.124   1.786  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -2.902   1.399   2.621  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 3