ATOM 22
1 C1y C 21.7734 -15.8270
2 C1y C 21.7734 -17.2182
3 C1x C 20.4521 -15.4022
4 C1b C 22.9607 -15.1345
5 C1x C 20.4463 -17.6372
6 C1b C 22.9607 -17.9224
7 C1x C 19.6373 -16.5081
8 C1b C 24.1714 -15.8270
9 C1b C 24.1714 -17.2182
10 C1b C 25.3762 -15.1112
11 C1b C 25.3879 -17.9165
12 C1b C 26.5926 -15.8097
13 C1b C 26.6042 -17.2240
14 C1b C 27.8090 -15.0879
15 C1b C 27.8440 -17.9224
16 C1b C 29.0431 -15.7864
17 C1b C 29.0605 -17.1657
18 C6a C 30.2304 -15.0879
19 C1b C 30.3176 -17.9049
20 O6a O 31.4295 -15.7688
21 O6a O 30.2187 -13.7084
22 C1a C 31.5458 -17.1774
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 6 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 18 21 2
21 19 22 1
22 5 7 1
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