ATOM 40
1 C1y C 23.3800 -16.1000
2 C2y C 24.8500 -16.1000
3 C2y C 25.9000 -17.1500
4 C1z C 25.9000 -18.6200
5 C1y C 24.8500 -19.6700
6 C2y C 23.3800 -19.6700
7 C2y C 22.4000 -18.6200
8 C1z C 22.4000 -17.1500
9 C1y C 23.3800 -17.0800
10 C1y C 24.2900 -17.0800
11 C1y C 24.8500 -18.5500
12 C1y C 24.0100 -18.5500
13 C5x C 21.2100 -16.5200
14 C8y C 20.0900 -17.1500
15 C8y C 20.0900 -18.6200
16 C5x C 21.2100 -19.3200
17 C5x C 27.0900 -19.3200
18 C8y C 28.2100 -18.6200
19 C8y C 28.2100 -17.1500
20 C5x C 27.0900 -16.5200
21 C8x C 18.9700 -16.5200
22 C8y C 17.8500 -17.1500
23 C8x C 17.8500 -18.6200
24 C8y C 18.9700 -19.3200
25 C8x C 29.3300 -19.3200
26 C8y C 30.4500 -18.6200
27 C8x C 30.4500 -17.1500
28 C8y C 29.3300 -16.5200
29 O5x O 21.2100 -15.1900
30 O5x O 21.2100 -20.6500
31 O5x O 27.0900 -20.6500
32 O5x O 27.0900 -15.1900
33 O1a O 29.3300 -15.1900
34 C1a C 31.6400 -19.3200
35 O1a O 18.9700 -20.6500
36 C1a C 16.7300 -16.5200
37 O1a O 25.4100 -14.9100
38 O1a O 22.8900 -20.9300
39 O1a O 24.2200 -15.0500
40 O1a O 24.2900 -20.5100
BOND 47
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 8 1 1
9 1 9 1
10 9 10 1
11 5 11 1
12 11 12 1
13 10 12 1
14 8 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 7 16 1
19 4 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 3 20 1
24 14 21 2
25 21 22 1
26 22 23 2
27 23 24 1
28 15 24 2
29 18 25 2
30 25 26 1
31 26 27 2
32 27 28 1
33 19 28 2
34 13 29 2
35 16 30 2
36 17 31 2
37 20 32 2
38 28 33 1
39 26 34 1
40 24 35 1
41 22 36 1
42 2 37 1
43 6 38 1
44 8 12 1
45 10 4 1
46 9 39 1
47 11 40 1
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