ATOM 28
1 C8x C 20.4309 -18.5612
2 C8x C 20.4320 -19.9648
3 C8x C 21.6456 -17.8585
4 C8x C 21.6479 -20.6656
5 C8y C 22.8617 -18.5592
6 C8y C 22.8629 -19.9628
7 C7a C 24.0767 -17.8566
8 C7a C 24.0791 -20.6635
9 O6a O 25.2927 -18.5573
10 O6a O 25.2938 -19.9608
11 O7a O 24.0756 -16.4282
12 O7a O 24.0800 -22.2527
13 C1b C 25.2856 -15.7284
14 C1b C 26.4792 -16.4164
15 C1b C 27.6716 -15.7267
16 C1b C 28.8667 -16.4156
17 C1b C 30.0583 -15.7263
18 C1c C 31.2537 -16.4154
19 C1b C 25.2846 -22.9474
20 C1b C 26.4788 -22.2570
21 C1b C 27.6727 -22.9454
22 C1b C 28.8651 -22.2560
23 C1b C 30.0599 -22.9449
24 C1a C 32.4453 -15.7263
25 C1a C 31.2548 -17.8273
26 C1c C 31.2519 -22.2557
27 C1a C 32.4470 -22.9447
28 C1a C 31.2512 -20.8466
BOND 28
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 5 6 1
7 5 7 1
8 6 8 1
9 7 9 2
10 8 10 2
11 7 11 1
12 8 12 1
13 11 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 12 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 18 24 1
25 18 25 1
26 23 26 1
27 26 27 1
28 26 28 1
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