ATOM 17
1 C1y C 33.5621 -25.5865
2 C1x C 32.1541 -25.5865
3 O2x O 32.8581 -26.7833
4 C1b C 34.7424 -24.9200
5 C1b C 35.9549 -25.6200
6 C1b C 37.1673 -24.9200
7 C1b C 38.3797 -25.6200
8 C1b C 39.5922 -24.9200
9 C1b C 40.8046 -25.6200
10 C1b C 42.0170 -24.9200
11 C1b C 43.2295 -25.6200
12 C1b C 44.4419 -24.9200
13 C1b C 45.6544 -25.6200
14 C1b C 46.8668 -24.9200
15 C1b C 48.0792 -25.6200
16 C1b C 49.2997 -24.9153
17 C1a C 50.4993 -25.6080
BOND 17
1 1 2 1
2 2 3 1
3 1 3 1
4 1 4 1
5 4 5 1
6 5 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
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