ATOM 22
1 C8y C 26.0327 -17.3595
2 C8x C 27.2497 -16.6666
3 C8x C 26.0270 -18.7628
4 C1b C 24.8217 -16.6607
5 C8y C 28.4609 -17.3711
6 C8x C 27.2380 -19.4673
7 C1b C 23.6047 -17.3595
8 C8y C 28.4550 -18.7686
9 O1a O 29.6778 -16.6783
10 N1b N 22.3937 -16.6666
11 O1a O 29.6662 -19.4730
12 C1c C 21.1884 -17.3654
13 C1b C 19.9715 -16.6666
14 C1a C 21.1884 -18.7628
15 C1b C 18.7603 -17.3654
16 C8y C 17.5435 -16.6666
17 C8x C 16.3382 -17.3654
18 C8x C 17.5435 -15.2692
19 C8x C 15.1213 -16.6666
20 C8x C 16.3382 -14.5646
21 C8y C 15.1213 -15.2692
22 O1a O 13.9043 -14.5646
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 5 9 1
9 7 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 12 14 1
14 13 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 21 22 1
22 6 8 1
23 20 21 1
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