ATOM 28
1 C8y C 30.6564 -17.6949
2 C8y C 29.4529 -18.4097
3 C8y C 31.8774 -18.3787
4 C8x C 30.6384 -16.2962
5 C8y C 29.4709 -19.8085
6 C8x C 28.2319 -17.7258
7 C8y C 33.0863 -17.6638
8 O1a O 31.8253 -19.7774
9 C8y C 31.8415 -15.5754
10 C8y C 28.2617 -20.5233
11 O1a O 30.7622 -20.7081
12 C8y C 27.0344 -18.4347
13 C8x C 33.1386 -16.2651
14 O2a O 34.3075 -18.3476
15 C2b C 31.8236 -14.1710
16 C8x C 27.0463 -19.8335
17 O2a O 28.2796 -21.9278
18 C2b C 25.8192 -17.7625
19 C1a C 35.5165 -17.6327
20 C2b C 33.0269 -13.4562
21 C1a C 27.0821 -22.6367
22 C2b C 24.6161 -18.4773
23 C6a C 33.0089 -12.0574
24 C6a C 23.3949 -17.8051
25 O6a O 34.2120 -11.3369
26 O6a O 31.7820 -11.3680
27 O6a O 22.1917 -18.5141
28 O6a O 23.3770 -16.4007
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 10 17 1
17 12 18 1
18 14 19 1
19 15 20 2
20 17 21 1
21 18 22 2
22 20 23 1
23 22 24 1
24 23 25 1
25 23 26 2
26 24 27 1
27 24 28 2
28 9 13 2
29 12 16 2
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