ATOM 25
1 C8x C 27.7200 -22.8900
2 C8y C 27.7200 -24.3600
3 C8y C 28.9100 -25.0600
4 C8x C 30.1000 -24.3600
5 C8y C 30.1000 -22.8900
6 C8x C 28.9100 -22.1900
7 O1a O 26.4600 -25.0600
8 O2a O 28.9100 -26.4600
9 C1a C 27.6500 -27.1600
10 C1b C 31.3600 -22.1900
11 C1b C 32.6200 -22.8900
12 C5a C 33.8100 -22.1900
13 C1b C 35.0000 -22.8900
14 C1c C 36.1900 -22.1900
15 O5a O 33.8100 -20.7900
16 C1b C 37.3800 -22.8900
17 O1a O 36.1900 -20.7900
18 C1b C 38.5700 -22.1900
19 C1b C 39.7600 -22.8900
20 C1b C 40.9500 -22.1900
21 C1b C 42.1400 -22.8900
22 C1b C 43.4000 -22.1900
23 C1b C 44.5900 -22.8900
24 C1b C 45.8081 -22.1999
25 C1a C 46.9895 -22.8950
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 3 8 1
9 8 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 12 15 2
16 14 16 1
17 14 17 1 #Up
18 16 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
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