ATOM 29
1 C8y C 25.4100 -16.8700
2 N4y N 24.3600 -16.1000
3 C8y C 26.6700 -15.9600
4 N5x N 25.5500 -18.2700
5 C1y C 23.1000 -16.5200
6 C8x C 24.8500 -14.7000
7 N5y N 26.2500 -14.7000 #+
8 C8y C 27.8600 -16.4500
9 C8y C 26.8800 -18.8300
10 O2x O 21.9800 -15.6800
11 C1y C 22.6800 -17.7800
12 C1a C 27.4400 -13.3000
13 N4x N 28.0700 -17.9200
14 O5x O 28.9800 -15.6800
15 N1a N 27.0200 -20.1600
16 C1y C 20.8600 -16.4500
17 C1y C 21.2800 -17.7800
18 O1a O 23.4500 -18.9000
19 C1b C 19.6000 -16.0300
20 O1a O 20.8600 -19.0400
21 O2b O 18.5500 -16.9400
22 P1b P 17.1500 -16.9400
23 O1c O 17.1500 -18.3400
24 O2c O 15.8200 -16.9400
25 O1c O 17.1500 -15.6100
26 P1b P 14.4200 -16.9400
27 O1c O 14.4200 -15.5400
28 O1c O 13.0200 -16.9400
29 O1c O 14.4200 -18.3400
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 7 12 1
12 8 13 1
13 8 14 2
14 9 15 1
15 10 16 1
16 11 17 1
17 11 18 1 #Down
18 16 19 1 #Up
19 17 20 1 #Down
20 19 21 1
21 21 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 6 7 2
26 9 13 1
27 16 17 1
28 24 26 1
29 26 27 2
30 26 28 1
31 26 29 1
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