ATOM 35
1 C1y C 12.3200 -26.2500
2 C1y C 12.3200 -27.6500
3 C1z C 13.5324 -28.3500
4 C1y C 14.7449 -27.6500
5 C1z C 14.7449 -26.2500
6 C1x C 13.5324 -25.5500
7 C1x C 15.9573 -28.3500
8 C1x C 17.1697 -27.6500
9 C1z C 17.1697 -26.2500
10 C1y C 15.9573 -25.5500
11 C1z C 18.3822 -25.5500
12 C2y C 18.3822 -24.1500
13 C2x C 17.1697 -23.4500
14 C1x C 15.9573 -24.1500
15 C1x C 19.5946 -26.2500
16 C1x C 20.8070 -25.5500
17 C1z C 20.8070 -24.1500
18 C1y C 19.5946 -23.4500
19 C1x C 22.0195 -23.4500
20 C1x C 22.0195 -22.0500
21 C1y C 20.8070 -21.3500
22 C1z C 19.5946 -22.0500
23 C1a C 20.8070 -19.9500
24 O1a O 18.1946 -22.0500
25 C1a C 18.8946 -20.8376
26 C6a C 22.0195 -24.8500
27 C1a C 17.1697 -25.4100
28 C1a C 14.7449 -24.8500
29 C1a C 18.3822 -26.9500
30 C1a C 14.1048 -29.9123
31 C1a C 12.9601 -29.9123
32 O1a O 11.1076 -25.5500
33 O1a O 11.1076 -28.3500
34 O6a O 23.2546 -24.1366
35 O6a O 22.0196 -26.2497
BOND 39
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 2
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 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 21 23 1 #Down
28 22 24 1 #Down
29 22 25 1 #Up
30 17 26 1 #Up
31 9 27 1 #Up
32 5 28 1 #Up
33 11 29 1 #Down
34 3 30 1
35 3 31 1
36 1 32 1 #Down
37 2 33 1 #Down
38 26 34 1
39 26 35 2
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