ATOM 21
1 N1y N 26.9363 -23.8708
2 C2y C 26.9363 -25.2620
3 S2x S 28.1431 -25.9542
4 C1x C 29.3498 -25.2620
5 N1y N 29.3498 -23.8708
6 C5x C 28.1431 -23.1717
7 O5x O 28.1448 -21.7805
8 C8y C 30.5541 -23.1725
9 C8x C 31.7556 -23.8742
10 C8x C 32.9599 -23.1761
11 C8x C 32.9610 -21.7849
12 C8x C 31.7576 -21.0917
13 C8x C 30.5530 -21.7831
14 C1c C 25.7326 -23.1710
15 C1a C 25.7333 -21.7799
16 C1a C 24.5284 -23.8697
17 N2b N 25.7326 -25.9549
18 C1d C 25.7335 -27.3460
19 C1a C 24.5299 -28.0459
20 C1a C 26.9377 -28.0445
21 C1a C 25.7802 -28.9269
BOND 22
1 9 10 1
2 10 11 2
3 11 12 1
4 12 13 2
5 13 8 1
6 1 14 1
7 6 7 2
8 14 15 1
9 1 2 1
10 14 16 1
11 5 8 1
12 2 17 2
13 2 3 1
14 3 4 1
15 4 5 1
16 17 18 1
17 5 6 1
18 18 19 1
19 6 1 1
20 18 20 1
21 8 9 2
22 18 21 1
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