ATOM 22
1 C1y C 23.1000 -23.5200
2 C1y C 23.1000 -22.1200
3 C1a C 24.2900 -21.4200
4 C1x C 25.5500 -22.1200
5 C7x C 25.5500 -23.5200
6 O7x O 24.2900 -24.2200
7 C1x C 21.9100 -21.4200
8 C1x C 21.9100 -20.0200
9 C2x C 23.1000 -19.3200
10 C2x C 25.5500 -19.3200
11 C1z C 26.7400 -20.0200
12 C1x C 26.7400 -21.4200
13 C2y C 23.1000 -17.9200
14 C1y C 24.2900 -17.2200
15 C2x C 25.5500 -17.9200
16 C1a C 21.9100 -24.2200
17 C1a C 21.9100 -17.2200
18 O2a O 24.2900 -15.8200
19 O6a O 26.7400 -24.2200
20 O1a O 26.7400 -18.6200
21 C1a C 28.0923 -20.3823
22 C1a C 25.5024 -15.1200
BOND 22
1 1 2 1
2 2 3 1 #Down
3 4 5 1
4 5 6 1
5 1 6 1
6 2 7 1
7 7 8 1
8 8 9 1
9 10 11 1
10 11 12 1
11 4 12 1
12 9 13 2
13 13 14 1
14 14 15 1
15 15 10 2
16 1 16 1 #Down
17 13 17 1
18 14 18 1 #Up
19 5 19 2
20 11 20 1 #Up
21 11 21 1 #Down
22 18 22 1
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