ATOM 19
1 C1z C 27.4359 -20.4785
2 C2y C 27.4416 -19.1503
3 C1y C 28.5849 -21.1391
4 N1y N 26.2999 -21.1334
5 C1y C 28.6024 -18.4964
6 C2x C 26.2824 -18.4907
7 C1y C 29.7441 -20.4833
8 C1x C 28.5849 -22.4547
9 C1x C 25.1462 -20.4785
10 C1x C 26.2940 -22.4488
11 C1y C 27.2775 -17.1401
12 C1x C 29.7500 -19.1560
13 C1x C 25.1462 -19.1503
14 O1a O 30.8802 -21.1450
15 C1x C 27.4300 -23.1166
16 C5x C 28.6786 -17.1305
17 C1x C 26.2464 -19.7934
18 C1a C 26.5069 -16.0207
19 O5x O 29.6596 -16.1968
BOND 22
1 2 5 1
2 2 6 2
3 3 7 1
4 3 8 1
5 4 9 1
6 4 10 1
7 5 12 1
8 6 13 1
9 7 14 1 #Up
10 8 15 1
11 7 12 1
12 9 13 1
13 10 15 1
14 5 16 1 #Up
15 16 11 1
16 1 2 1
17 1 17 1 #Up
18 17 11 1
19 1 3 1
20 11 18 1 #Up
21 1 4 1
22 16 19 2
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