ATOM 31
1 C1z C 20.7900 -22.4000
2 C1z C 21.9800 -23.1000
3 C1y C 19.6000 -23.1000
4 C8y C 20.7900 -21.0700
5 C1x C 21.9800 -21.7000
6 C1y C 23.1700 -22.4000
7 C1x C 21.9800 -24.5000
8 C1x C 21.4200 -24.1500
9 C1z C 19.6000 -24.4300
10 O2x O 18.9700 -21.5600
11 C8y C 19.6700 -20.3700
12 C8y C 22.0500 -20.3700
13 C1x C 24.3600 -21.7000
14 N1y N 24.3600 -23.1000
15 C1x C 23.2400 -21.0700
16 C1y C 20.7900 -25.1300
17 C1x C 20.2300 -23.4500
18 C8y C 19.6700 -18.9700
19 C8x C 22.0500 -18.9700
20 C1b C 25.5500 -22.4700
21 C8x C 20.8600 -18.2700
22 O1a O 18.4800 -18.2700
23 C1y C 26.7400 -23.1700
24 C1x C 27.4400 -24.3600
25 C1x C 28.1400 -23.1700
26 C1d C 21.4900 -26.3200
27 C1a C 22.8900 -26.3200
28 C1a C 20.7900 -27.5100
29 O1a O 22.1900 -27.5100
30 C1a C 17.2200 -24.4300
31 O2a O 18.4100 -25.1300
BOND 37
1 1 5 1 #Up
2 2 6 1
3 2 7 1
4 2 8 1 #Down
5 3 9 1
6 3 10 1 #Down
7 4 11 1
8 4 12 2
9 5 13 1
10 6 14 1 #Up
11 6 15 1
12 7 16 1
13 8 17 1
14 11 18 2
15 12 19 1
16 14 20 1
17 18 21 1
18 18 22 1
19 9 16 1
20 9 17 1 #Down
21 10 11 1
22 12 15 1
23 14 13 1 #Up
24 19 21 2
25 1 2 1
26 20 23 1
27 1 3 1
28 1 4 1
29 23 24 1
30 23 25 1
31 25 24 1
32 16 26 1
33 26 27 1
34 26 28 1
35 26 29 1
36 30 31 1
37 31 9 1
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