ATOM 26
1 C8x C 30.7981 -23.8618
2 C8x C 31.1663 -25.1746
3 C8x C 32.4871 -25.5123
4 C8y C 33.4401 -24.5371
5 C8y C 33.0721 -23.2242
6 C8x C 31.7510 -22.8867
7 C1z C 34.8025 -24.5927
8 C1y C 35.2764 -23.3143
9 N1x N 34.2069 -22.4686
10 C1x C 35.8719 -25.4385
11 C1x C 37.0068 -24.6827
12 N1y N 36.6386 -23.3698
13 C8y C 35.4224 -27.1120
14 C8y C 35.7856 -28.4262
15 C8x C 37.1053 -28.7687
16 C8x C 38.0619 -27.7970
17 C8x C 37.6986 -26.4829
18 C8x C 36.3788 -26.1404
19 C1z C 34.0603 -27.0514
20 C1y C 33.5817 -28.3280
21 N1x N 34.6480 -29.1777
22 C1x C 32.9940 -26.2017
23 C1x C 31.8564 -26.9533
24 N1y N 32.2196 -28.2674
25 C1a C 31.3584 -29.3480
26 C1a C 37.4908 -22.2918
BOND 31
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 1 #Up
12 10 11 1
13 11 12 1
14 8 12 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 13 19 1
22 19 20 1
23 20 21 1
24 14 21 1
25 19 22 1 #Up
26 22 23 1
27 23 24 1
28 20 24 1
29 24 25 1
30 7 19 1
31 12 26 1
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