ATOM 25
1 C8x C 14.7700 -30.1700
2 C8y C 13.5800 -29.4700
3 C8y C 13.5800 -28.0700
4 C8x C 14.7700 -27.3700
5 C8y C 16.0300 -28.0700
6 C8y C 16.0300 -29.4700
7 C1y C 17.2200 -27.3700
8 N1y N 18.4100 -28.0700
9 C1x C 18.4100 -29.4700
10 C1x C 17.2200 -30.1700
11 C1x C 17.2200 -25.9700
12 C8y C 18.4100 -25.2700
13 C8y C 19.6000 -25.9700
14 C1x C 19.6000 -27.3700
15 C8x C 18.4100 -23.8700
16 C8x C 19.6000 -23.1700
17 C8y C 20.8600 -23.8700
18 C8y C 20.8600 -25.2700
19 O2x O 22.1900 -23.4500
20 C1x C 22.9600 -24.5700
21 O2x O 22.1900 -25.6900
22 O2a O 12.3900 -30.1700
23 O2a O 12.3900 -27.3700
24 C1a C 11.1300 -29.4700
25 C1a C 11.1719 -28.0601
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 1
12 7 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 8 14 1
17 12 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 13 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 18 21 1
26 2 22 1
27 3 23 1
28 22 24 1
29 23 25 1
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