C,

C, 1, r1,

C, 2, r2 , 1, a1,

O, 3, r3, 2, a2, 1, d1,

O, 3, r4, 2, a3, 1, d2,

H, 1, r5, 2, a4, 3, d3,

H, 1, r6, 2, a5, 3, d4,

C, 5, r7, 3, a6, 2, d5,

H, 8, r8, 5, a7, 3 , d6,

H, 8, r9, 5, a8, 3, d7,

H, 8, r10, 5, a9, 3, d8,

H, 2, r11, 1, a10, 3, d9,

r1=1.3297000

r2=1.6312000 122.0636000

r3=1.1844000 121.5890000 -115.6081000

r4=1.2359000 100.6726000 66.6830000

r5=1.0804000 121.2994000 -7.0818000

r6=1.0837000 120.9951728 170.2409214

r7=3.1025528 163.8327862 57.8067417

r8=1.0689000 52.9948250 123.4546576

r9=1.0727000 85.7644577 -9.9691768

r10=1.0767000 136.3632926 -139.3437239

r11=1.0836000 124.3960000 177.5496000

a1=122.0636000
a2=121.5890000 -115.6081000

a3=100.6726000 66.6830000

a4=121.2994000 -7.0818000

a5=120.9951728 170.2409214

a6=163.8327862 57.8067417

a7=52.9948250 123.4546576

a8=85.7644577 -9.9691768

a9=136.3632926 -139.3437239

a10=124.3960000 177.5496000

d1=-115.6081000

d2=66.6830000

d3=-7.0818000

d4=170.2409214

d5=57.8067417

d6=123.4546576

d7=-9.9691768

d8=-139.3437239

d9=177.5496000