ATOM 28
1 C1y C 20.5402 -14.0145
2 C1y C 21.9378 -14.0145
3 C1y C 20.1601 -15.3421
4 C1x C 20.0605 -12.6987
5 C1y C 22.3238 -12.6285
6 C1x C 22.3999 -15.2661
7 C8y C 18.9495 -16.0439
8 O2x O 21.3121 -16.1198
9 O2x O 21.1659 -11.8447
10 C8y C 23.4351 -11.8330
11 C8x C 18.9495 -17.4241
12 C8x C 17.7622 -15.3421
13 C8x C 24.6339 -12.5291
14 C8x C 23.4351 -10.4471
15 C8y C 17.7622 -18.1199
16 C8y C 16.5574 -16.0380
17 C8y C 25.8328 -11.8330
18 C8x C 24.6339 -9.7510
19 C8y C 16.5574 -17.4241
20 O2a O 17.7622 -19.5061
21 O2a O 15.3527 -15.3421
22 C8y C 25.8328 -10.4471
23 O2a O 27.0317 -12.5291
24 O1a O 15.3176 -18.1376
25 C1a C 18.9612 -20.1903
26 C1a C 14.1539 -16.0380
27 O1a O 27.2130 -9.5055
28 C1a C 28.2364 -11.8330
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1 #Down
7 3 8 1
8 4 9 1
9 5 10 1 #Down
10 7 11 2
11 7 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 12 16 2
16 13 17 2
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 1
21 17 22 1
22 17 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 5 9 1
29 6 8 1
30 16 19 1
31 18 22 2
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