ATOM 17
1 C1z C 26.2500 -19.5300
2 C2y C 26.2500 -20.9300
3 C1x C 27.4400 -18.8300
4 C1y C 24.9900 -18.8300
5 C1a C 26.1800 -18.1300
6 C2x C 27.4400 -21.6300
7 C1x C 24.9900 -21.6300
8 C1y C 28.6300 -19.5300
9 C1x C 23.8000 -19.5300
10 C1a C 24.9900 -17.4300
11 C1x C 28.6300 -20.9300
12 C1x C 23.8000 -20.9300
13 C1d C 29.8900 -18.8300
14 C1b C 31.0800 -19.5300
15 C1a C 29.8200 -17.4300
16 O1a O 31.0800 -18.1300
17 O1a O 32.2700 -18.8300
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 4 9 1
9 4 10 1 #Up
10 6 11 1
11 7 12 1
12 8 13 1
13 13 14 1
14 13 15 1 #Up
15 13 16 1 #Down
16 14 17 1
17 8 11 1
18 9 12 1
|