ATOM 21
1 C8y C 27.6687 -25.0307
2 C8x C 26.4677 -24.3253
3 C8x C 27.6687 -26.4360
4 C1b C 28.8757 -24.3253
5 C8y C 25.2492 -25.0307
6 C8x C 26.4677 -27.1298
7 C1b C 30.0885 -25.0250
8 C8y C 25.2492 -26.4360
9 O2a O 24.0365 -24.3253
10 C5a C 31.3012 -24.3194
11 O1a O 24.0365 -27.1298
12 C1a C 22.8237 -25.0307
13 C1b C 32.5140 -25.0191
14 O5a O 31.3012 -22.9201
15 C5a C 33.7267 -24.3137
16 C1b C 34.9395 -25.0074
17 O5a O 33.7209 -22.9084
18 C1b C 36.1405 -24.3077
19 C1b C 37.3532 -25.0017
20 C1b C 38.5660 -24.2961
21 C1a C 39.7787 -24.9957
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 7 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 13 15 1
15 15 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 6 8 2
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