ATOM 20
1 C8x C 14.3500 -21.1400
2 C8x C 14.3500 -22.5400
3 C8y C 15.5624 -23.2400
4 C8y C 16.7749 -22.5400
5 C8y C 16.7749 -21.1400
6 C8x C 15.5624 -20.4400
7 N1b N 17.9873 -23.2400
8 C5a C 19.1997 -22.5400
9 C1a C 17.9873 -20.4400
10 C1y C 20.3973 -23.2315
11 N1y N 20.3973 -24.6397
12 C1x C 21.6098 -25.3397
13 C1x C 22.8222 -24.6397
14 C1x C 22.8222 -23.2315
15 C1x C 21.6097 -22.5315
16 C1a C 15.5624 -24.6398
17 C1b C 19.1645 -25.3518
18 C1b C 17.9586 -24.6558
19 C1a C 16.7767 -25.3384
20 O5a O 19.1998 -21.1401
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 5 9 1
10 10 8 1 #Down
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 10 15 1
17 3 16 1
18 11 17 1
19 17 18 1
20 18 19 1
21 8 20 2
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