ATOM 21
1 C1y C 30.7496 -17.0006
2 N1y N 30.7146 -18.3815
3 C5a C 29.5199 -16.2838
4 C1x C 31.9846 -16.3013
5 C1x C 31.9674 -19.1508
6 C1b C 29.5140 -19.1099
7 N1b N 28.2963 -17.0006
8 O5a O 29.5083 -15.2058
9 C1x C 33.2142 -17.0181
10 C1x C 33.2083 -18.4399
11 C8y C 27.0609 -16.1497
12 C8y C 25.8315 -16.8664
13 C8y C 27.0609 -14.7280
14 C8x C 24.5962 -16.1497
15 C1a C 25.8430 -18.1892
16 C8y C 25.8315 -14.0170
17 C1a C 28.2847 -14.0170
18 C8x C 24.5962 -14.7280
19 C1b C 29.5200 -20.5045
20 C1a C 28.3231 -21.2024
21 O1a O 25.8329 -12.6454
BOND 22
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 1
11 11 12 2
12 11 13 1
13 12 14 1
14 12 15 1
15 13 16 2
16 13 17 1
17 14 18 2
18 9 10 1
19 16 18 1
20 6 19 1
21 19 20 1
22 16 21 1
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