ATOM 19
1 C1y C 19.8100 -17.8500
2 C1y C 21.2100 -17.8500
3 C1z C 21.6300 -16.5200
4 O2x O 20.5100 -15.6800
5 C1y C 19.3900 -16.5200
6 C1b C 18.0600 -16.1000
7 O1a O 22.0500 -18.9700
8 O1a O 18.9700 -18.9700
9 O1a O 22.8900 -17.2200
10 C1b C 22.6100 -15.5400
11 S4a S 16.6600 -16.1000
12 O1d O 16.6600 -14.7000
13 O1d O 15.2600 -16.1000
14 O1d O 16.6600 -17.5000
15 O2b O 23.9400 -15.8900
16 P1b P 25.3400 -15.8900
17 O1c O 25.3400 -14.4900
18 O1c O 26.7400 -15.8900
19 O1c O 25.3400 -17.2900
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Up
7 2 7 1 #Up
8 1 8 1 #Down
9 3 9 1 #Either
10 3 10 1 #Either
11 6 11 1
12 11 12 2
13 11 13 2
14 11 14 1
15 10 15 1
16 15 16 1
17 16 17 2
18 16 18 1
19 16 19 1
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