ATOM 22
1 C1z C 27.8759 -19.8002
2 C8y C 27.4330 -18.4716
3 C1x C 29.2745 -19.8002
4 C2x C 26.4716 -19.7945
5 C2x C 28.5635 -21.0183
6 C8y C 28.5693 -17.6441
7 C8y C 26.0693 -17.7723
8 C1y C 29.7116 -18.4716
9 C2x C 25.7605 -21.0066
10 C2x C 27.8642 -22.1603
11 C8y C 28.5695 -16.3736
12 C8y C 26.0052 -16.3736
13 O2x O 24.7406 -18.1977
14 N1y N 30.9236 -17.7840
15 C5x C 26.4599 -22.2246
16 C8x C 27.2873 -15.6686
17 C1x C 29.7173 -15.6743
18 O2x O 24.7523 -15.9307
19 C1x C 23.9306 -17.0614
20 C1x C 30.9295 -16.3796
21 C1a C 32.1242 -18.4774
22 O5x O 25.7488 -23.4250
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 11 16 1
16 11 17 1
17 12 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 6 8 1
23 10 15 1
24 12 16 2
25 17 20 1
26 18 19 1
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