ATOM 19
1 C8x C 21.3495 -18.1482
2 C8x C 22.5590 -20.2500
3 C8x C 20.1361 -18.8465
4 C8x C 21.3456 -20.9482
5 C8y C 22.5609 -18.8499
6 C8y C 20.1341 -20.2464
7 C1a C 37.1100 -18.8705
8 C1b C 23.7743 -18.1516
9 C1b C 35.8985 -18.1688
10 C1b C 24.9858 -18.8534
11 C1b C 34.6851 -18.8671
12 C1b C 26.1992 -18.1551
13 C1b C 33.4736 -18.1653
14 C1b C 27.4107 -18.8568
15 C1b C 32.2602 -18.8636
16 C1b C 28.6241 -18.1585
17 C1b C 31.0488 -18.1619
18 C1b C 29.8355 -18.8602
19 O1a O 18.9207 -20.9447
BOND 19
1 1 3 2
2 1 5 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 6 2
7 5 8 1
8 6 19 1
9 7 9 1
10 8 10 1
11 9 11 1
12 10 12 1
13 11 13 1
14 12 14 1
15 13 15 1
16 14 16 1
17 15 17 1
18 16 18 1
19 17 18 1
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