ATOM 21
1 C1y C 27.6918 -21.1111
2 C1y C 27.2830 -22.3607
3 O2x O 26.5883 -20.3229
4 C1y C 25.9461 -22.3607
5 O1a O 28.0714 -23.4234
6 C1y C 25.5199 -21.0937
7 O2b O 25.1636 -23.4351
8 C1b C 24.2645 -20.7026
9 P1b P 25.0989 -24.7780
10 O1a O 23.2894 -21.5957
11 O1c O 26.5529 -24.7780
12 O1c O 25.0989 -26.2375
13 N4y N 29.0383 -20.6686
14 C8y C 30.0790 -21.5993
15 N5x N 31.4090 -21.1621
16 C8y C 31.6954 -19.7917
17 C8x C 30.6547 -18.8611
18 C8x C 29.3247 -19.2982
19 O5x O 29.7869 -22.9945
20 N1a N 33.0330 -19.3520
21 O1c O 23.6989 -24.7780
BOND 22
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 4 7 1 #Down
7 6 8 1 #Up
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 4 6 1
13 1 13 1 #Up
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 14 19 2
21 16 20 1
22 9 21 1
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