ATOM 16
1 P1a P 21.6300 -16.9400
2 S0 S 22.6800 -15.9600
3 O2b O 20.5800 -17.9200
4 O2b O 20.5800 -15.9600
5 C1b C 19.3200 -15.9600
6 C1a C 18.6200 -14.7700
7 C1b C 19.3200 -17.9200
8 C1a C 18.6200 -19.1100
9 O2b O 22.8200 -17.9200
10 C8y C 24.2200 -17.9200
11 C8x C 24.8500 -19.1100
12 C8x C 26.2500 -19.1100
13 C8y C 26.9500 -17.9200
14 C8x C 26.2500 -16.7300
15 C8x C 24.9200 -16.7300
16 N1a N 28.3500 -17.9200
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 4 5 1
5 5 6 1
6 3 7 1
7 7 8 1
8 1 9 1
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 13 16 1
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