ATOM 26
1 C1y C 29.1900 -20.4400
2 C1y C 29.1900 -21.8400
3 O2x O 28.0000 -19.7400
4 C1b C 30.3800 -19.7400
5 C1y C 28.0000 -22.5400
6 O1a O 30.3800 -22.5400
7 C1y C 26.8100 -20.4400
8 O1a O 31.5000 -20.6500
9 C1y C 26.8100 -21.8400
10 O1a O 28.0000 -23.9400
11 O1a O 25.5500 -22.5400
12 C1c C 22.0500 -17.4300
13 C5a C 20.8600 -18.1300
14 N1b N 22.0500 -16.0300
15 C1b C 23.3100 -18.1300
16 N1b N 19.6700 -17.4300
17 O5a O 20.8600 -19.5300
18 C5a C 20.8600 -15.3300
19 R R 18.4100 -18.1300
20 O5a O 19.6700 -16.0300
21 R R 20.8600 -13.9300
22 C1b C 24.5000 -17.4300
23 C1c C 25.6900 -18.1300
24 C1b C 26.8800 -17.4300
25 N1a N 28.0700 -18.1300
26 O2a O 25.6900 -19.5300
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Down
10 9 11 1 #Up
11 7 9 1
12 12 13 1
13 12 14 1 #Up
14 12 15 1
15 13 16 1
16 13 17 2
17 14 18 1
18 16 19 1
19 18 20 2
20 18 21 1
21 15 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 23 26 1 #Down
26 7 26 1 #Down
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