ATOM 28
1 C8x C 11.9700 -15.9600
2 C8x C 11.9700 -17.3600
3 C8x C 13.1824 -18.0600
4 C8y C 14.3949 -17.3600
5 C8y C 14.3949 -15.9600
6 C8x C 13.1824 -15.2600
7 C5x C 15.6073 -18.0600
8 C2y C 16.8198 -17.3600
9 C2y C 16.8198 -15.9600
10 C5x C 15.6073 -15.2600
11 O5x O 15.6073 -13.8600
12 O5x O 15.6073 -19.4600
13 O7a O 18.0173 -15.2685
14 C7a C 18.0173 -13.8685
15 C1a C 19.2127 -13.1780
16 O6a O 16.7807 -13.1546
17 C1b C 18.0124 -18.0600
18 C1b C 19.2249 -17.3600
19 C1b C 20.4373 -18.0600
20 C1b C 21.6497 -17.3600
21 C1b C 22.8622 -18.0600
22 C1b C 24.0746 -17.3600
23 C1b C 25.2870 -18.0600
24 C1b C 26.4995 -17.3600
25 C1b C 27.7119 -18.0600
26 C1b C 28.9244 -17.3600
27 C1b C 30.1224 -18.0600
28 C1a C 31.3349 -17.3600
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 10 11 2
13 7 12 2
14 9 13 1
15 13 14 1
16 14 15 1
17 14 16 2
18 8 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
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