ATOM 24
1 S4a S 21.5627 -15.7225
2 C1b C 20.3656 -15.0205
3 O3c O 22.2647 -14.5252
4 O3c O 20.8528 -16.9215
5 C8y C 22.7774 -16.4281
6 C8x C 22.7632 -17.8306
7 C8x C 23.9778 -18.5361
8 C8x C 23.9863 -15.7250
9 C8y C 25.2008 -16.4307
10 C8y C 25.1925 -17.8309
11 O2a O 26.3975 -18.5394
12 C5a C 26.4205 -15.7423
13 N1b N 27.6254 -16.4507
14 C1b C 28.8108 -18.5541
15 C1b C 28.8378 -15.7616
16 C1y C 30.0396 -16.4705
17 N1y N 30.0287 -17.8751
18 C1x C 31.3513 -18.3189
19 C1x C 32.1916 -17.1959
20 C1x C 31.3765 -16.0559
21 O5a O 26.3590 -14.3351
22 C1a C 28.8648 -19.9614
23 C1a C 26.3829 -19.9432
24 C1a C 19.1399 -15.7184
BOND 25
1 13 12 1
2 12 9 1
3 1 4 2
4 5 6 2
5 6 7 1
6 14 17 1
7 16 15 1
8 15 13 1
9 7 10 2
10 9 8 2
11 8 5 1
12 1 5 1
13 16 17 1
14 17 18 1
15 18 19 1
16 19 20 1
17 20 16 1
18 1 2 1
19 12 21 2
20 1 3 2
21 14 22 1
22 9 10 1
23 10 11 1
24 11 23 1
25 2 24 1
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