ATOM 21
1 C1y C 17.7100 -16.4500
2 C1y C 17.7100 -17.8500
3 C1y C 18.9224 -18.5500
4 C1y C 20.1349 -17.8500
5 O2x O 20.1349 -16.4500
6 C1y C 18.9224 -15.7500
7 C1b C 18.9224 -14.3502
8 O1a O 16.4976 -18.5500
9 O2a O 21.3660 -18.5610
10 O1a O 16.4976 -15.7500
11 O1a O 18.9224 -19.9498
12 O1a O 17.6932 -13.6403
13 C8y C 22.5712 -17.8653
14 C8y C 23.7535 -18.5481
15 N4x N 24.9660 -17.8483
16 C8y C 24.9662 -16.4483
17 N5x N 23.7838 -15.7655
18 C8y C 22.5713 -16.4653
19 O5x O 21.3289 -15.7477
20 N1a N 26.1957 -15.7384
21 N1a N 23.7533 -19.9498
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Up
8 2 8 1 #Up
9 4 9 1 #Up
10 1 10 1 #Down
11 3 11 1 #Down
12 7 12 1
13 9 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 13 18 1
20 18 19 2
21 16 20 1
22 14 21 1
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