ATOM 20
1 C8y C 28.6670 -18.3596
2 C8y C 28.7295 -16.9538
3 C8x C 27.4638 -19.0681
4 C1y C 29.9953 -18.7843
5 C8y C 27.4408 -16.2543
6 C1x C 29.9938 -16.5137
7 N5y N 26.2400 -18.3717 #+
8 C1x C 30.8232 -17.6459
9 C1a C 30.0098 -20.1793
10 C8x C 26.2275 -16.9688
11 C1a C 27.4202 -14.8493
12 C1b C 25.0376 -19.0400
13 C1b C 23.8251 -18.3400
14 C8y C 22.6127 -19.0400
15 C8x C 21.3982 -18.3388
16 C8x C 20.1858 -19.0388
17 C8y C 20.1858 -20.4388
18 C8x C 21.4003 -21.1400
19 C8x C 22.6127 -20.4400
20 O1a O 18.9537 -21.1504
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 1 #Down
9 5 10 2
10 5 11 1
11 6 8 1
12 7 10 1
13 7 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 1
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