ATOM 22
1 C8y C 26.9356 -17.8567
2 C8y C 25.5337 -17.8598
3 C8y C 27.6404 -16.6524
4 C8y C 27.6189 -19.0703
5 C8y C 24.8373 -16.6453
6 C8y C 24.8359 -19.1449
7 C8y C 29.0308 -16.6697
8 C1x C 26.9411 -15.3730
9 C8y C 29.0150 -19.0076
10 C1x C 26.9415 -20.2972
11 C1x C 25.5399 -15.4330
12 C8x C 23.4301 -16.6455
13 O2x O 25.5403 -20.2872
14 C8x C 23.4389 -19.0808
15 C8y C 29.7221 -17.8813
16 O2a O 29.7465 -15.4583
17 O1a O 29.7006 -20.2990
18 C8y C 22.7295 -17.8657
19 O2a O 31.1233 -17.8213
20 C1a C 31.1528 -15.4711
21 O1a O 21.3275 -17.8687
22 C1a C 31.8116 -19.1078
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 2
15 7 16 1
16 9 17 1
17 12 18 2
18 15 19 1
19 16 20 1
20 18 21 1
21 19 22 1
22 8 11 1
23 9 15 1
24 10 13 1
25 14 18 1
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