ATOM 20
1 C8y C 27.5550 -17.9600
2 C8y C 27.5609 -19.3636
3 C8y C 28.8886 -17.5290
4 C8x C 26.3496 -17.2496
5 N4x N 28.8944 -19.7886
6 C8x C 26.3438 -20.0565
7 C8x C 29.7097 -18.6531
8 C1b C 29.2031 -16.1606
9 C8y C 25.1325 -17.9543
10 C8x C 25.1384 -19.3576
11 C1b C 30.5365 -15.7472
12 C1b C 23.9154 -17.2612
13 N1c N 30.8452 -14.3846
14 S4a S 22.7101 -17.9659
15 C1a C 32.1787 -13.9710
16 C1a C 29.8203 -13.4353
17 N1b N 21.5047 -17.2671
18 O3c O 23.7001 -18.9675
19 O3c O 21.7142 -18.9675
20 C1a C 20.2933 -17.9717
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 6 10 1
10 8 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 2
18 14 19 2
19 17 20 1
20 5 7 1
21 9 10 2
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