ATOM 20
1 C8x C 26.7489 -19.9410
2 C1x C 32.0952 -21.9695
3 C1x C 32.6440 -20.7946
4 C8x C 26.7956 -22.6990
5 O1a O 30.3078 -16.3835
6 C8y C 27.9578 -20.6045
7 C8y C 27.8997 -21.9839
8 C8x C 29.1711 -22.6597
9 N5y N 30.2908 -21.9632 #+
10 C8y C 25.5160 -22.0335
11 C8y C 25.5576 -20.6544
12 O2x O 24.2369 -20.2576
13 C1x C 23.4537 -21.3843
14 O2x O 24.2829 -22.4845
15 C8y C 29.1473 -19.9009
16 C8y C 30.3408 -20.5838
17 C8y C 31.5194 -19.8870
18 C8x C 31.5113 -18.5147
19 C8y C 30.3249 -17.8391
20 C8x C 29.1393 -18.5286
BOND 24
1 7 8 1
2 8 9 2
3 9 16 1
4 7 4 1
5 1 11 2
6 19 5 1
7 4 10 2
8 2 3 1
9 10 11 1
10 11 12 1
11 12 13 1
12 13 14 1
13 14 10 1
14 6 1 1
15 9 2 1
16 17 3 1
17 15 6 1
18 6 7 2
19 15 16 2
20 16 17 1
21 17 18 2
22 18 19 1
23 19 20 2
24 20 15 1
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