optimized structure. Structure parameters of Harmony
and Strand are given in parentheses.
Br
Si,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
C,2,B4,1,A3,4,D2,0
H,3,B5,2,A4,1,D3,0
H,3,B6,2,A5,1,D4,0
H,3,B7,2,A6,1,D5,0
H,4,B8,2,A7,1,D6,0
H,4,B9,2,A8,1,D7,0
H,4,B10,2,A9,1,D8,0
H,5,B11,2,A10,1,D9,0
H,5,B12,2,A11,1,D10,0
H,5,B13,2,A12,1,D11,0
Variables:
B1=2.24435272 (2.235)
B2=1.86223737 (1.856)
B3=1.86223737 (1.856)
B4=1.86223737 (1.856)
B5=1.09401587
B6=1.09401587
B7=1.09590148
B8=1.09401587
B9=1.09401587
B10=1.09590148
B11=1.09401587
B12=1.09401587
B13=1.09590148
A1=106.80474428 (107.5)
A2=106.80474428 (107.5)
A3=106.80474428 (107.5)
A4=110.87935962
A5=110.87935962
A6=110.89953093
A7=110.87935962
A8=110.87935962
A9=110.89953093
A10=110.87935962
A11=110.87935962
A12=110.89953093
D1=120.
D2=120.
D3=-59.95583308
D4=59.95583308
D5=180.
D6=59.95583308
D7=-59.95583308
D8=180.
D9=59.95583308
D10=-59.95583308
D11=180.
