ATOM 22
1 C1y C 27.1112 -13.9239
2 C8y C 25.9355 -14.6399
3 C1y C 27.0646 -12.4747
4 C1y C 28.3626 -14.5991
5 C8y C 25.9704 -16.0135
6 C8x C 24.7249 -13.9821
7 C2y C 28.2811 -11.7530
8 N1y N 26.0053 -11.5376
9 O7x O 28.3451 -15.9610
10 C1x C 29.5732 -13.8542
11 C8x C 24.7948 -16.7352
12 C7x C 27.1752 -16.6770
13 C8y C 23.5550 -14.7039
14 C2x C 29.5325 -12.4340
15 C1x C 27.9726 -10.3736
16 C1x C 26.5642 -10.2339
17 C1a C 24.7772 -12.2360
18 C8y C 23.5841 -16.0717
19 O6a O 27.1285 -18.0913
20 O1a O 22.2920 -16.5199
21 O2a O 22.3320 -14.0383
22 C1a C 21.1194 -14.7272
BOND 25
1 1 3 1
2 1 4 1
3 2 5 2
4 2 6 1
5 3 7 1
6 3 8 1
7 4 9 1
8 4 10 1
9 5 11 1
10 5 12 1
11 6 13 2
12 7 14 2
13 7 15 1
14 8 16 1
15 8 17 1
16 11 18 2
17 12 19 2
18 18 20 1
19 9 12 1
20 10 14 1
21 13 18 1
22 15 16 1
23 13 21 1
24 1 2 1
25 21 22 1
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