ATOM 24
1 C1d C 26.6000 -20.0900
2 C8y C 27.7900 -20.7900
3 C1y C 26.6000 -18.6900
4 C1b C 25.4100 -20.7900
5 C8x C 27.7900 -22.1900
6 C8x C 29.0500 -20.0900
7 C1x C 25.4100 -17.9900
8 C1x C 27.7900 -17.9900
9 C1b C 24.1500 -20.0900
10 C8x C 29.0500 -22.8900
11 C8x C 30.2400 -20.7900
12 C1x C 25.4100 -16.5900
13 C1x C 27.7900 -16.5900
14 N1d N 22.9600 -20.7900 #+
15 C8x C 30.2400 -22.1900
16 C1x C 26.6000 -15.8900
17 C1b C 21.7700 -20.0900
18 C1b C 22.9600 -22.1900
19 C1a C 20.5800 -20.7900
20 C1a C 21.7476 -22.8900
21 C1b C 22.9600 -19.3900
22 C1a C 21.9701 -18.4001
23 O1a O 27.8124 -19.3900
24 X I 19.3200 -18.8300 #-
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 1
15 12 16 1
16 14 17 1
17 14 18 1
18 17 19 1
19 11 15 2
20 13 16 1
21 18 20 1
22 14 21 1
23 21 22 1
24 1 23 1
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