ATOM 30
1 C1y C 25.0866 -20.0670
2 C8y C 23.7612 -20.5457
3 N1y N 26.2777 -20.7968
4 C1x C 25.0634 -18.6599
5 C8y C 23.3176 -21.8828
6 C8x C 22.8271 -19.5007
7 C5x C 26.4587 -22.1923
8 C1x C 27.4978 -20.1312
9 C1x C 26.3653 -18.0002
10 C2x C 24.0884 -23.0563
11 C8x C 21.9455 -22.1689
12 C8x C 21.4493 -19.7809
13 C2x C 25.4837 -23.2022
14 O5x O 27.7956 -22.5424
15 C1x C 28.6830 -20.8726
16 N1x N 27.5505 -18.7359
17 C8x C 21.0114 -21.1180
18 C1x C 29.9092 -20.2247
19 C5x C 28.7824 -18.0820
20 C1x C 31.2286 -20.7092
21 C1x C 29.9676 -18.8234
22 O5x O 28.7707 -16.6808
23 N1x N 32.0986 -19.6058
24 C1y C 31.3162 -18.4440
25 C8y C 31.7371 -17.1790
26 C8x C 32.9495 -16.4790
27 C8x C 32.9495 -15.0790
28 C8x C 31.7371 -14.3790
29 C8x C 30.5246 -15.0790
30 C8x C 30.5246 -16.4790
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 8 15 1
15 9 16 1
16 11 17 2
17 15 18 1
18 16 19 1
19 18 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 21 24 1
24 10 13 2
25 12 17 1
26 23 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
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