ATOM 19
1 C8y C 27.7989 -15.7482
2 S4a S 28.9546 -15.0684
3 N1y N 30.4502 -16.2921
4 O3c O 28.0029 -14.1167
5 O3c O 30.1783 -14.2526
6 C1x C 31.5379 -15.4083
7 C1y C 32.8296 -15.7482
8 C1x C 33.4414 -16.9719
9 C1x C 30.4502 -17.6517
10 C1x C 32.8296 -18.1956
11 C1y C 31.5379 -18.4675
12 C1x C 31.3992 -16.9317
13 C1x C 32.5681 -17.2311
14 C8x C 26.5749 -15.0547
15 C8x C 25.3682 -15.7645
16 C8y C 25.3095 -17.1644
17 C8x C 26.5336 -17.8580
18 C8x C 27.8103 -17.1482
19 N1a N 24.1149 -17.8276
BOND 21
1 1 2 1
2 2 3 1
3 2 4 2
4 2 5 2
5 7 8 1
6 3 9 1
7 8 10 1
8 6 7 1
9 9 11 1
10 3 6 1
11 10 11 1
12 12 13 1
13 13 7 1
14 11 12 1
15 1 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 1 18 1
21 16 19 1
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