ATOM 18
1 C1y C 26.8722 -19.3312
2 C1y C 25.5339 -19.7637
3 N1y N 28.0058 -20.1552
4 C1x C 27.3047 -18.0047
5 C1y C 24.4004 -18.9396
6 S3x S 25.1016 -21.0901
7 C1y C 29.1337 -19.3370
8 C1a C 27.9883 -21.5517
9 C1x C 28.7070 -18.0047
10 C1x C 23.2667 -19.7637
11 O1a O 24.3887 -17.5373
12 S3x S 23.7049 -21.0901
13 C1y C 30.4661 -19.7695
14 C1y C 31.5996 -18.9455
15 S3x S 30.8984 -21.0960
16 C1x C 32.7333 -19.7695
17 O1a O 31.5879 -17.5430
18 S3x S 32.2951 -21.1018
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 14 17 1 #Up
17 15 18 1
18 7 9 1
19 10 12 1
20 16 18 1
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