ATOM 17
1 C1y C 27.7462 -17.1478
2 C1x C 27.7462 -18.5475
3 O7x O 28.9593 -16.4480
4 C2b C 26.5333 -16.4539
5 C2y C 28.9593 -19.2473
6 C7x C 30.1723 -17.1420
7 C2b C 25.3203 -17.1537
8 C2x C 30.1723 -18.5417
9 O2a O 28.9593 -20.6529
10 O6a O 31.3795 -16.4422
11 C8y C 24.1131 -16.4656
12 C1a C 30.1782 -21.3468
13 C8x C 24.1131 -15.0601
14 C8x C 22.9059 -17.1595
15 C8x C 22.9059 -14.3544
16 C8x C 21.6928 -16.4656
17 C8x C 21.6928 -15.0601
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 2
7 5 8 2
8 5 9 1
9 6 10 2
10 7 11 1
11 9 12 1
12 11 13 1
13 11 14 2
14 13 15 2
15 14 16 1
16 15 17 1
17 6 8 1
18 16 17 2
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