ATOM 22
1 C1y C 26.1861 -17.6636
2 C1y C 25.0132 -16.9750
3 C1y C 27.3706 -16.9984
4 C1x C 26.1861 -19.0231
5 C1z C 23.8228 -17.6519
6 C1x C 25.0249 -15.6153
7 C1z C 27.3706 -15.6387
8 C1x C 29.7280 -16.9984
9 C1x C 25.0016 -19.7000
10 C1y C 23.8170 -19.0114
11 C1x C 22.6558 -16.9691
12 C1a C 23.8111 -16.4149
13 C1x C 26.2035 -14.9501
14 C1z C 28.5493 -14.9618
15 C1a C 27.3997 -14.2734
16 C1x C 29.7280 -15.6387
17 C1x C 22.6558 -19.6942
18 O7x O 21.4713 -17.6519
19 C1a C 29.7922 -14.4017
20 O1a O 28.5493 -13.5323
21 C7x C 21.4713 -19.0114
22 O6a O 20.2925 -19.6942
BOND 25
1 1 2 1
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 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 1 #Down
19 14 20 1 #Up
20 17 21 1
21 21 22 2
22 7 13 1
23 9 10 1
24 14 16 1
25 18 21 1
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