ATOM 28
1 C8y C 26.7697 -19.5183
2 C8y C 26.7697 -20.9236
3 C8y C 27.9826 -18.8188
4 C8y C 25.5628 -18.8129
5 C8y C 25.5570 -21.6116
6 C5x C 27.9826 -21.6233
7 C8y C 29.2012 -19.5242
8 C8y C 27.9883 -17.4135
9 C8x C 24.3501 -19.5183
10 C1a C 25.5628 -17.4135
11 C8y C 24.3501 -20.9236
12 C5x C 25.5511 -23.0110
13 C2x C 27.9767 -23.0227
14 O5x O 29.1953 -20.9294
15 C8y C 30.4082 -18.8129
16 O1a O 28.1167 -20.2123
17 C8x C 29.2012 -16.7197
18 C1a C 26.7697 -16.7197
19 O1a O 23.1373 -21.6233
20 C2x C 26.7640 -23.7165
21 O5x O 24.3384 -23.7107
22 C8y C 30.4139 -17.4194
23 C5x C 31.6151 -19.5242
24 C5x C 31.6325 -16.7314
25 C2x C 32.8278 -18.8303
26 O5x O 31.6734 -20.9236
27 C2x C 32.8395 -17.4311
28 O5x O 31.6383 -15.3261
BOND 31
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 1
15 7 16 1
16 8 17 2
17 8 18 1
18 11 19 1
19 12 20 1
20 12 21 2
21 15 22 2
22 15 23 1
23 22 24 1
24 23 25 1
25 23 26 2
26 24 27 1
27 24 28 2
28 9 11 2
29 13 20 2
30 17 22 1
31 25 27 2
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