ATOM 22
1 C8x C 31.5822 -25.6493
2 C8y C 31.5822 -27.0485
3 C8x C 32.7969 -27.7480
4 C8x C 34.0044 -27.0485
5 C8y C 34.0044 -25.6493
6 C8x C 32.7969 -24.9497
7 O2a O 30.3739 -27.7480
8 C1b C 29.1655 -27.0485
9 C1c C 27.9571 -27.7480
10 C1b C 26.7488 -27.0485
11 O2a O 25.5405 -27.7480
12 C1b C 24.3321 -27.0485
13 C1a C 23.1237 -27.7480
14 N1b N 35.2073 -24.9568
15 C5a C 36.4157 -25.6564
16 C1b C 37.6240 -24.9639
17 C1b C 38.8324 -25.6635
18 S0 S 40.0408 -24.9709 #+
19 O5a O 36.4088 -27.0556
20 O1a O 27.9502 -29.1471
21 C1a C 41.2504 -25.6744
22 C1a C 40.0454 -23.5717
BOND 22
1 15 16 1
2 16 17 1
3 7 8 1
4 17 18 1
5 1 2 1
6 15 19 2
7 8 9 1
8 9 20 1
9 2 3 2
10 18 21 1
11 9 10 1
12 18 22 1
13 3 4 1
14 10 11 1
15 4 5 2
16 11 12 1
17 5 6 1
18 12 13 1
19 6 1 2
20 5 14 1
21 14 15 1
22 2 7 1
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