ATOM 21
1 C1z C 23.6694 -22.8629
2 C1b C 22.9521 -24.0705
3 C1a C 24.3703 -24.5605
4 O1a O 21.9487 -24.5662
5 C2y C 28.5470 -18.6691
6 C1x C 26.1142 -18.6596
7 C1x C 27.3499 -17.9736
8 C1y C 26.1143 -20.0618
9 C1x C 26.1021 -22.8844
10 C2x C 27.3289 -22.1770
11 C1c C 29.7516 -17.9675
12 C1y C 24.8993 -22.1801
13 C1z C 24.9189 -20.7714
14 C1x C 23.7086 -20.0454
15 C1x C 22.4788 -20.7355
16 C1x C 22.4591 -22.1442
17 C1a C 24.8993 -19.3660
18 C2x C 28.5367 -20.0510
19 C2y C 27.3289 -20.7433
20 C1a C 29.7447 -16.5690
21 C1a C 30.9523 -18.6527
BOND 23
1 2 4 1
2 1 2 1 #Down
3 1 3 1 #Up
4 13 14 1
5 14 15 1
6 15 16 1
7 16 1 1
8 1 12 1
9 13 8 1
10 8 19 1
11 7 6 1
12 5 11 1
13 13 17 1 #Up
14 5 18 2
15 8 6 1
16 18 19 1
17 12 9 1
18 11 20 1
19 5 7 1
20 11 21 1
21 9 10 1
22 19 10 2
23 12 13 1
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