ATOM 24
1 C1y C 30.4693 -15.4540
2 C1y C 30.4693 -16.7999
3 C1y C 31.6383 -17.4695
4 C1y C 32.7931 -16.7999
5 C1y C 32.7931 -15.4540
6 O2x O 31.6383 -14.7846
7 O1a O 29.3106 -17.4700
8 C1b C 29.3106 -14.7840
9 O1a O 31.6400 -18.8083
10 O1a O 33.9526 -17.4685
11 O2a O 33.9526 -14.7855
12 O2a O 28.1512 -15.4528
13 O1a O 28.3926 -19.4436
14 C1y C 24.6625 -16.1234
15 C1y C 24.6625 -17.4695
16 C1y C 25.8246 -18.1389
17 C1y C 26.9794 -17.4695
18 C1y C 26.9794 -16.1234
19 O2x O 25.8246 -15.4540
20 O1a O 23.4969 -18.1396
21 C1b C 23.4969 -15.4534
22 O1a O 25.8263 -19.4779
23 O1a O 22.3375 -16.1222
24 R R 35.2963 -14.7846
BOND 25
1 3 4 1
2 4 10 1 #Up
3 4 5 1
4 5 11 1 #Up
5 5 6 1
6 8 12 1
7 6 1 1
8 2 7 1 #Down
9 1 2 1
10 1 8 1 #Up
11 2 3 1
12 14 15 1
13 15 16 1
14 16 17 1
15 17 18 1
16 18 19 1
17 19 14 1
18 15 20 1 #Down
19 18 12 1 #Down
20 14 21 1 #Up
21 16 22 1 #Up
22 17 13 1 #Up
23 21 23 1
24 3 9 1 #Up
25 11 24 1
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