ATOM 22
1 C1y C 21.5803 -21.5785
2 C1y C 22.9862 -21.5785
3 C1z C 22.2833 -20.3835
4 C1a C 22.9862 -19.1885
5 C1a C 21.2991 -19.3994
6 C2b C 20.3853 -20.8756
7 C2c C 19.1903 -21.5785
8 C1a C 17.9952 -20.8756
9 O7a O 25.4466 -21.5785
10 C7a C 24.1813 -20.8756
11 O6a O 24.1813 -19.4697
12 C1a C 19.1903 -22.9845
13 C1y C 26.6416 -20.8756
14 C1x C 26.2199 -19.5400
15 C2y C 28.0476 -20.8756
16 C2y C 28.4693 -19.5400
17 C5x C 27.3446 -18.6964
18 O5x O 27.3446 -17.2905
19 C1b C 29.6644 -18.8370
20 C3b C 30.8594 -19.5400
21 C3a C 32.1247 -20.2429
22 C1a C 28.8787 -22.0096
BOND 23
1 7 8 1
2 3 4 1
3 1 2 1
4 3 5 1
5 1 3 1
6 1 6 1
7 3 2 1
8 6 7 2
9 9 10 1
10 10 2 1
11 10 11 2
12 7 12 1
13 9 13 1
14 14 13 1
15 13 15 1
16 15 16 2
17 16 17 1
18 14 17 1
19 17 18 2
20 19 20 1
21 19 16 1
22 20 21 3
23 15 22 1
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