ATOM 21
1 C1y C 23.5495 -18.3292
2 C8y C 24.5378 -17.2739
3 O2x O 22.4612 -17.5343
4 C1y C 23.1582 -19.5827
5 C8y C 25.7058 -16.5891
6 C8x C 23.3885 -16.5891
7 C1y C 21.3973 -18.3108
8 C1y C 21.8253 -19.5827
9 O1a O 23.9409 -20.6526
10 N4x N 25.7058 -15.2441
11 O5x O 26.8613 -17.2495
12 N4x N 23.3885 -15.2441
13 C1b C 20.1316 -17.9072
14 O1a O 21.0487 -20.6648
15 C8y C 24.5378 -14.5775
16 O2b O 19.8442 -16.9611
17 O5x O 24.5378 -13.4609
18 P1b P 18.5113 -16.9550
19 O1c O 17.1785 -16.9550
20 O1c O 18.4991 -18.4217
21 O1c O 18.5113 -15.4820
BOND 22
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 7 8 1
22 12 15 1
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