ATOM 21
1 C1a C 20.1562 -21.2955
2 C5a C 21.3666 -20.5948
3 N1b N 22.5769 -21.2955
4 C1b C 23.7872 -20.5948
5 C1b C 24.9975 -21.2955
6 S2a S 26.2078 -20.5948
7 C5a C 27.4182 -21.2955
8 C1b C 28.6285 -20.5948
9 C5a C 29.8388 -21.2955
10 C2b C 31.0491 -20.5948
11 O5a O 21.3666 -19.1934
12 O5a O 27.4182 -22.6969
13 O5a O 29.8388 -22.6969
14 C2b C 31.0474 -19.1934
15 C8y C 32.2603 -18.4911
16 C8x C 33.4689 -19.1881
17 C8x C 34.6818 -18.4860
18 C8y C 34.6801 -17.0846
19 C8x C 33.4657 -16.3853
20 C8x C 32.2528 -17.0875
21 O1a O 35.8930 -16.3824
BOND 21
1 2 11 2
2 5 6 1
3 7 12 2
4 1 2 1
5 9 13 2
6 6 7 1
7 10 14 2
8 3 4 1
9 14 15 1
10 7 8 1
11 8 9 1
12 4 5 1
13 9 10 1
14 15 16 2
15 16 17 1
16 17 18 2
17 18 19 1
18 19 20 2
19 20 15 1
20 2 3 1
21 18 21 1
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