ATOM 25
1 C8y C 11.8300 -11.3400
2 C8y C 10.6400 -10.6400
3 C1y C 13.0900 -10.6400
4 C8y C 11.8300 -12.8100
5 C8y C 10.6400 -9.2400
6 C8y C 9.4500 -11.3400
7 C1x C 13.0900 -9.2400
8 N1y N 14.2800 -11.3400
9 C8x C 10.6400 -13.5100
10 C1x C 13.0900 -13.4400
11 C8y C 11.8300 -8.6100
12 C8x C 9.4500 -8.6100
13 C8y C 9.4500 -12.8100
14 C1x C 14.2800 -12.7400
15 C1a C 15.4700 -10.6400
16 C8x C 11.8300 -7.2100
17 C8y C 9.4500 -7.2100
18 C8y C 10.6400 -6.5100
19 O2a O 8.2600 -6.5100
20 C1a C 7.0700 -7.2100
21 O2a O 10.6400 -5.1100
22 C1a C 9.4500 -4.4100
23 O2x O 8.1200 -13.2300
24 C1x C 7.2800 -12.0400
25 O2x O 8.1200 -10.9200
BOND 29
1 1 2 2
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 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 8 14 1
14 8 15 1
15 11 16 1
16 12 17 2
17 16 18 2
18 7 11 1
19 9 13 1
20 10 14 1
21 17 18 1
22 17 19 1
23 19 20 1
24 18 21 1
25 21 22 1
26 13 23 1
27 23 24 1
28 24 25 1
29 6 25 1
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