ATOM 27
1 N5y N 18.4400 -22.3400 #+
2 C8x C 18.4400 -23.7408
3 C8x C 19.6530 -24.4411
4 C8x C 20.8662 -23.7408
5 C8y C 20.8662 -22.3400
6 C8x C 19.6530 -21.6396
7 C1c C 22.1043 -21.6396
8 C1b C 23.3174 -22.3400
9 C1b C 24.5305 -21.6396
10 C1b C 25.7434 -22.3400
11 N1c N 26.9565 -21.6396
12 C1a C 28.1696 -22.3400
13 O1a O 22.1105 -20.2392
14 N2b N 26.9565 -20.2392
15 O3a O 28.1904 -19.5266
16 C1y C 17.2680 -21.2767
17 O2x O 17.9698 -20.0610
18 C1y C 17.2680 -18.8453
19 C1y C 15.8642 -18.8453
20 C1y C 15.1623 -20.0610
21 C1y C 15.8642 -21.2767
22 O1a O 15.1737 -22.4725
23 O1a O 13.7661 -20.0610
24 O1a O 15.1741 -17.6501
25 C6a C 17.9619 -17.6438
26 O6a O 19.3657 -17.6438 #-
27 O6a O 17.2775 -16.4582
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 13 1
14 11 14 1
15 14 15 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 16 21 1
22 21 22 1 #Down
23 20 23 1 #Up
24 19 24 1 #Down
25 18 25 1 #Up
26 25 26 1
27 25 27 2
28 16 1 1 #Up
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