ATOM 31
1 C1x C 23.4500 -22.7500
2 C5x C 23.4500 -24.0800
3 C1z C 24.6400 -24.7800
4 C1y C 25.8300 -24.0800
5 C1z C 25.8300 -22.7500
6 C1x C 24.6400 -22.0500
7 C1x C 27.0200 -24.7800
8 C1x C 28.2100 -24.0800
9 C1z C 28.2100 -22.7500
10 C1y C 27.0200 -22.0500
11 C1z C 29.4000 -22.0500
12 C1y C 29.4000 -20.6500
13 C1x C 28.2100 -19.9500
14 C1x C 27.0200 -20.6500
15 C1x C 30.5900 -22.7500
16 C1x C 31.7800 -22.0500
17 C1z C 31.7800 -20.6500
18 C1y C 30.5900 -19.9500
19 C1x C 32.9700 -19.9500
20 C1y C 30.5900 -18.6200
21 C1x C 32.9700 -18.6200
22 C1a C 32.9700 -21.3500
23 C1a C 29.4000 -23.4500
24 C1a C 28.2100 -21.4900
25 C1a C 25.8300 -21.3500
26 O5x O 22.2600 -24.7800
27 C1a C 23.9400 -25.9700
28 C1a C 25.0600 -26.1800
29 C2c C 29.4000 -17.9200
30 C2a C 28.2100 -18.6200
31 C1a C 29.4000 -16.5200
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 18 20 1
24 19 21 1
25 20 21 1
26 17 22 1 #Up
27 11 23 1 #Down
28 9 24 1 #Up
29 5 25 1 #Up
30 2 26 2
31 3 27 1
32 3 28 1
33 20 29 1 #Down
34 29 30 2
35 29 31 1
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