ATOM 27
1 C1y C 22.9140 -16.6432
2 O2x O 21.7699 -17.3029
3 S2a S 22.8966 -15.2073
4 C1y C 24.0640 -17.3089
5 C1y C 21.7699 -18.6222
6 C2c C 22.9082 -13.8937
7 C1y C 24.0582 -18.6282
8 O1a O 25.2025 -16.6549
9 C1y C 22.9082 -19.2877
10 C1b C 20.6257 -19.3053
11 C1b C 21.6531 -13.1757
12 N2b N 24.0523 -13.2225
13 O1a O 25.1966 -19.2994
14 O1a O 22.8966 -20.6130
15 O1a O 19.4697 -18.6515
16 C1b C 20.3980 -13.8879
17 O2a O 25.1849 -12.5510
18 C1b C 19.1428 -13.1641
19 S4a S 26.4341 -13.4793
20 C1b C 17.8878 -13.8763
21 O1d O 27.5025 -12.2709
22 O1d O 25.3251 -14.6293
23 O1d O 27.7185 -14.2907
24 C1b C 16.6268 -13.1581
25 S4a S 15.3718 -13.8703
26 C1a C 14.1107 -13.1524
27 O1d O 15.3776 -15.3122
BOND 27
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 2
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 2
21 19 22 2
22 19 23 1
23 20 24 1
24 24 25 1
25 25 26 1
26 25 27 2
27 7 9 1
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