ATOM 27
1 C8x C 23.6600 -18.2000
2 C8x C 23.6600 -19.6000
3 C8x C 24.8500 -20.3000
4 C8y C 24.8500 -17.5000
5 C8y C 26.1100 -18.2000
6 C8y C 26.1100 -19.6000
7 C8x C 27.3000 -20.3000
8 C8x C 28.4900 -19.6000
9 C8x C 28.4900 -18.2000
10 N5x N 27.3000 -17.5000
11 O1a O 24.8500 -16.1000
12 S4a S 32.9000 -17.6400
13 O1d O 34.3000 -17.6400
14 O1d O 31.5000 -17.6400
15 O1d O 32.9000 -19.0400
16 O1d O 32.9000 -16.2400
17 C8x C 23.6600 -18.2000
18 C8x C 23.6600 -19.6000
19 C8x C 24.8500 -20.3000
20 C8y C 26.1100 -19.6000
21 C8y C 26.1100 -18.2000
22 N5x N 27.3000 -17.5000
23 C8x C 28.4900 -18.2000
24 C8x C 28.4900 -19.6000
25 C8x C 27.3000 -20.3000
26 C8y C 24.8500 -17.5000
27 O1a O 24.8500 -16.1000
BOND 28
1 12 13 1
2 12 14 1
3 12 15 2
4 12 16 2
5 1 2 2
6 2 3 1
7 3 6 2
8 5 6 1
9 6 7 1
10 7 8 2
11 8 9 1
12 9 10 2
13 10 5 1
14 5 4 2
15 4 11 1
16 4 1 1
17 17 18 2
18 18 19 1
19 19 20 2
20 21 20 1
21 20 25 1
22 25 24 2
23 24 23 1
24 23 22 2
25 22 21 1
26 21 26 2
27 26 27 1
28 26 17 1
BRACKET 1 22.7500 -20.8600 22.7500 -15.1200
1 29.1200 -15.1200 29.1200 -20.8600
1 2
ORIGINAL 1 1 2 3 6 5 10 9 8 7 4 11
REPEAT 1 17 18 19 20 21 22 23 24 25 26 27
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