ATOM 20
1 C1x C 30.3595 -27.2633
2 C1x C 31.7708 -27.2633
3 C1y C 32.2069 -25.9210
4 C1y C 31.0651 -25.0914
5 C1y C 29.9234 -25.9210
6 O2x O 29.9234 -24.5107
7 C1b C 33.4124 -25.2000
8 C1b C 34.6249 -25.9000
9 C1b C 35.8373 -25.2000
10 C1b C 37.0497 -25.9000
11 C1b C 38.2622 -25.2000
12 C1b C 39.4746 -25.9000
13 C1b C 40.6870 -25.2000
14 C1b C 41.8995 -25.9000
15 C1b C 43.1119 -25.2000
16 C1b C 44.3244 -25.9000
17 C7a C 45.5368 -25.2000
18 O7a O 46.7492 -25.9000
19 C1a C 47.9697 -25.1953
20 O6a O 45.5368 -23.8004
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1
7 4 6 1
8 3 7 1
9 7 8 1
10 8 9 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 17 20 2
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