ATOM 25
1 C8x C 20.5100 -23.3100
2 C8y C 20.5100 -24.7100
3 C8x C 21.7224 -25.4100
4 C8y C 22.9349 -24.7100
5 C8y C 22.9349 -23.3100
6 C8x C 21.7224 -22.6100
7 S4a S 19.2976 -25.4100
8 C1b C 18.0851 -26.1100
9 O3c O 18.6034 -24.2073
10 O3c O 20.0030 -26.6321
11 C1a C 16.8540 -25.3990
12 C8y C 24.1660 -25.4210
13 O2a O 24.1660 -22.5990
14 C8x C 24.5996 -26.7359
15 C8x C 25.9869 -26.7328
16 C8y C 26.4127 -25.4125
17 N4x N 25.2885 -24.5995
18 C1y C 27.7234 -24.9832
19 C1x C 28.8589 -25.8042
20 C1x C 29.9906 -24.9780
21 C1x C 29.5545 -23.6464
22 N1y N 28.1533 -23.6496
23 C1b C 27.3282 -22.5194
24 C1a C 24.1660 -21.1990
25 C1a C 27.6905 -21.1671
BOND 27
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 7 8 1
9 7 9 2
10 7 10 2
11 8 11 1
12 4 12 1
13 5 13 1
14 12 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 12 17 1
19 16 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 18 22 1
25 22 23 1
26 13 24 1
27 23 25 1
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