ATOM 27
1 C1b C 28.0087 -19.1667
2 C1b C 26.7951 -19.8756
3 C1b C 29.2049 -19.8666
4 C1b C 25.5727 -19.1844
5 C1b C 30.4273 -19.1490
6 C1b C 24.3677 -19.8933
7 C1b C 31.6588 -19.8311
8 C1b C 23.1363 -19.2112
9 C1b C 32.8550 -19.1313
10 C1b C 21.9226 -19.9110
11 C1b C 34.0774 -19.8224
12 C1b C 20.7177 -19.2199
13 C1b C 35.2823 -19.1048
14 C1b C 19.4953 -19.9287
15 C1b C 36.5047 -19.7957
16 C1b C 18.2903 -19.2466
17 C1b C 37.7186 -19.0871
18 C1b C 17.0767 -19.9552
19 C1b C 38.9323 -19.7782
20 C1b C 15.8453 -19.2643
21 C1b C 40.1370 -19.0693
22 C1b C 14.6581 -19.9729
23 C1b C 41.3509 -19.7605
24 C1b C 13.4267 -19.2818
25 C1b C 42.5556 -19.0604
26 C1a C 12.2307 -19.9907
27 O1a O 43.7693 -19.7515
BOND 26
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 25 27 1
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