ATOM 23
1 C1y C 22.0843 -17.2165
2 C1y C 20.9217 -16.5504
3 C1y C 23.2532 -16.5382
4 C1x C 22.0658 -18.6093
5 C1z C 19.7651 -17.2287
6 C1x C 20.9096 -15.1998
7 C1z C 23.2591 -15.1878
8 C1x C 25.5907 -16.5442
9 C1x C 20.9277 -19.2270
10 C2y C 19.7651 -18.5609
11 C1x C 18.6266 -16.5746
12 C1a C 19.7469 -15.6055
13 C1x C 22.0783 -14.5216
14 C1y C 24.4280 -14.5156
15 C1a C 23.2590 -13.5802
16 C1y C 25.5907 -15.1998
17 C2x C 18.6083 -19.2331
18 C1x C 17.4700 -17.2287
19 C5x C 17.4700 -18.5609
20 O5x O 16.2383 -19.2639
21 O1a O 24.4349 -13.1251
22 O2a O 26.8136 -14.5003
23 C1a C 28.0214 -15.2039
BOND 26
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 2
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 14 21 1 #Up
25 16 22 1 #Down
26 22 23 1
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