ATOM 22
1 N4y N 27.8600 -17.5000
2 C1y C 26.3900 -18.2000
3 C8y C 29.1200 -17.1500
4 C8x C 27.0900 -16.4500
5 O2x O 25.2700 -17.4300
6 C1y C 25.9700 -19.4600
7 C8y C 29.1200 -15.7500
8 N5x N 30.3100 -17.7800
9 N5x N 27.8600 -15.3300
10 C1y C 24.2200 -18.2000
11 C1y C 24.6400 -19.4600
12 O1a O 26.8100 -20.5800
13 C8x C 30.3100 -15.1200
14 C8x C 31.4300 -17.1500
15 C1b C 22.9600 -17.7800
16 O1a O 23.8700 -20.5800
17 N5x N 31.4300 -15.7500
18 O2b O 22.6800 -16.5200
19 P1b P 21.2800 -16.5200
20 O1c O 21.2800 -17.9200
21 O1c O 21.2800 -15.1200
22 O1c O 19.8800 -16.5200
BOND 24
1 2 1 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 1
13 8 14 2
14 10 15 1 #Up
15 11 16 1 #Down
16 13 17 2
17 15 18 1
18 7 9 1
19 10 11 1
20 14 17 1
21 18 19 1
22 19 20 1
23 19 21 2
24 19 22 1
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