ATOM 20
1 C1y C 21.0458 -19.7719
2 C1y C 22.2801 -20.4980
3 O2x O 19.8841 -20.4980
4 C1y C 22.2801 -21.8775
5 O1a O 23.5144 -19.8445
6 C1y C 19.8841 -21.8775
7 C1y C 21.0458 -22.6036
8 O1a O 23.5144 -22.6036
9 C1b C 18.6497 -22.6036
10 O1a O 21.0458 -23.9832
11 O1a O 18.6113 -24.0087
12 C1a C 14.9800 -15.9600
13 S2a S 16.1700 -16.6600
14 C1b C 17.4300 -15.9600
15 C1b C 18.6200 -16.6600
16 C1b C 19.8100 -15.9600
17 C2c C 21.0700 -16.6600
18 N2b N 22.2600 -15.9600
19 S2a S 21.0700 -18.0600
20 O1b O 22.2600 -14.3500
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Up
8 6 9 1 #Up
9 7 10 1 #Down
10 6 7 1
11 9 11 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 1 19 1 #Up
BRACKET 1 17.1500 -17.3600 17.1500 -15.4700
1 17.7100 -15.4700 17.7100 -17.3600
1 n
ORIGINAL 1 14
REPEAT 1
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