ATOM 26
1 C8x C 21.9655 -21.9702
2 C8x C 21.9655 -23.3703
3 C8x C 23.1820 -24.0668
4 C8x C 24.3913 -23.3703
5 C8x C 24.3913 -21.9702
6 C8y C 23.1820 -21.2667
7 C1b C 23.1837 -19.8665
8 O7a O 24.3981 -19.1715
9 C7a C 25.6036 -19.8696
10 N1b N 26.8180 -19.1746
11 O6a O 25.6019 -21.2697
12 C1c C 26.8197 -17.7744
13 C5a C 28.0341 -17.0725
14 O5a O 27.9658 -15.6723
15 N1b N 29.2467 -17.7774
16 C1b C 25.6071 -17.0694
17 C1c C 25.6090 -15.6692
18 C1a C 24.4033 -14.9712
19 C1a C 26.8232 -14.9742
20 C1c C 30.4611 -17.0755
21 C4a C 31.6736 -17.7806
22 O4a O 32.8879 -17.0785
23 C1b C 30.4628 -15.6753
24 C1b C 31.6772 -14.9803
25 C1b C 32.8898 -15.6784
26 C1a C 34.1040 -14.9834
BOND 26
1 12 13 1
2 13 14 2
3 6 7 1
4 13 15 1
5 1 2 2
6 12 16 1 #Up
7 7 8 1
8 16 17 1
9 2 3 1
10 17 18 1
11 8 9 1
12 17 19 1
13 3 4 2
14 15 20 1
15 9 10 1
16 20 21 1
17 4 5 1
18 21 22 2
19 9 11 2
20 20 23 1 #Up
21 5 6 2
22 23 24 1
23 10 12 1
24 24 25 1
25 6 1 1
26 25 26 1
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