ATOM 28
1 C1c C 27.7646 -22.0083
2 C5a C 26.5482 -22.7126
3 N1b N 27.7646 -20.6115
4 C1b C 28.9695 -22.7126
5 N1b N 25.3376 -22.0083
6 O5a O 26.5482 -24.1153
7 C5a C 26.5482 -19.9130
8 O7a O 30.1802 -22.0083
9 R R 24.1270 -22.7126
10 O5a O 26.5482 -18.5161
11 R R 25.3376 -20.6115
12 C7a C 31.3824 -22.6800
13 C1b C 32.5949 -21.9800
14 C1b C 33.8073 -22.6800
15 C1b C 35.0197 -21.9800
16 C1b C 36.2322 -22.6800
17 C1b C 37.4446 -21.9800
18 C1b C 38.6570 -22.6800
19 C1b C 39.8695 -21.9800
20 C1b C 41.0819 -22.6800
21 C1b C 42.2944 -21.9800
22 C1b C 43.5068 -22.6800
23 C1b C 44.7192 -21.9800
24 C1b C 45.9317 -22.6800
25 C1b C 47.1441 -21.9800
26 C1b C 48.3565 -22.6800
27 C1a C 49.5690 -21.9800
28 O6a O 31.3824 -24.0800
BOND 27
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 2
10 7 11 1
11 8 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 12 28 2
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