ATOM 22
1 C8y C 27.1254 -19.2268
2 C8y C 27.1895 -20.6249
3 C1y C 28.4129 -18.5279
4 C8x C 25.9896 -18.5220
5 C8y C 25.9896 -21.3239
6 C7x C 28.4013 -21.3299
7 C1y C 29.6188 -19.2444
8 O2x O 28.7158 -17.1589
9 C8y C 24.7721 -19.2268
10 C8y C 24.7721 -20.6249
11 O1a O 25.9954 -22.7279
12 O7x O 29.6129 -20.6366
13 O6a O 28.3954 -22.7279
14 C1x C 30.6673 -18.3124
15 C1y C 30.1080 -17.0307
16 O2a O 23.5605 -18.5220
17 O2a O 23.5605 -21.3239
18 C1b C 31.3139 -16.3202
19 C1a C 22.3430 -19.2268
20 C1a C 22.3430 -20.6308
21 C1b C 32.5313 -17.0016
22 C1a C 33.7372 -16.2968
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 1
17 15 18 1 #Up
18 16 19 1
19 17 20 1
20 18 21 1
21 21 22 1
22 7 12 1
23 9 10 1
24 14 15 1
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