ATOM 22
1 C8x C 23.5203 -18.2140
2 C8y C 23.5203 -19.6159
3 C8y C 24.7383 -20.3204
4 C8y C 25.9432 -19.6159
5 O7x O 27.1482 -20.3255
6 C8y C 28.3663 -19.6262
7 C8y C 24.7383 -17.5166
8 C8y C 25.9463 -18.2191
9 O7x O 25.9623 -15.4225
10 C8y C 24.6763 -16.1181
11 C8y C 27.1552 -17.5304
12 C8y C 28.3665 -18.2272
13 C8x C 29.5791 -17.5328
14 C8y C 29.5805 -16.1343
15 C8y C 28.3692 -15.4304
16 C8y C 27.1565 -16.1320
17 O6a O 23.5353 -15.4068
18 O6a O 29.5800 -20.3333
19 O1a O 24.7416 -21.7224
20 O1a O 22.3056 -20.3211
21 O1a O 28.3705 -14.0284
22 O1a O 30.7962 -15.4309
BOND 25
1 9 10 1
2 10 7 1
3 2 3 1
4 8 4 1
5 4 5 1
6 5 6 1
7 6 12 1
8 3 4 2
9 11 12 1
10 12 13 2
11 13 14 1
12 14 15 2
13 15 16 1
14 16 11 2
15 7 1 1
16 10 17 2
17 6 18 2
18 1 2 2
19 3 19 1
20 7 8 2
21 2 20 1
22 8 11 1
23 15 21 1
24 16 9 1
25 14 22 1
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