ATOM 29
1 C1x C 14.9809 -18.2179
2 C8y C 14.0737 -17.1012
3 C8y C 14.3528 -15.7752
4 N1y N 15.6091 -15.1471
5 C1x C 16.3768 -18.2179
6 C5x C 16.8653 -15.7054
7 C1y C 17.2143 -17.0315
8 C8x C 13.3060 -14.7982
9 C8x C 11.9799 -15.2867
10 C8x C 11.7008 -16.6127
11 C8x C 12.7476 -17.5200
12 O5x O 17.9819 -14.7982
13 N1b N 18.6101 -17.0315
14 C1c C 19.3080 -18.2877
15 C1b C 20.7038 -18.2877
16 C6a C 18.6101 -19.4741
17 C1b C 21.4017 -17.0315
18 C8y C 22.7975 -17.0315
19 O6a O 17.2143 -19.4741
20 O6a O 19.3080 -20.6606
21 C8x C 23.4954 -18.2877
22 C8x C 24.8912 -18.2877
23 C8x C 25.5891 -17.1012
24 C8x C 24.8912 -15.8450
25 C8x C 23.4954 -15.8450
26 C1b C 15.6091 -13.7513
27 C6a C 16.8178 -13.0534
28 O6a O 18.0098 -13.7417
29 O6a O 16.8179 -11.6578
BOND 31
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 6 12 2
14 7 13 1 #Up
15 13 14 1
16 14 15 1 #Up
17 14 16 1
18 15 17 1
19 17 18 1
20 16 19 2
21 16 20 1
22 18 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 18 25 1
28 4 26 1
29 26 27 1
30 27 28 1
31 27 29 2
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