ATOM 28
1 C8x C 13.6500 -31.6400
2 C8y C 13.6500 -33.0400
3 C8x C 14.8624 -33.7400
4 C8y C 16.0749 -33.0400
5 C8y C 16.0749 -31.6400
6 C8x C 14.8624 -30.9400
7 C1x C 17.2873 -33.7400
8 C1x C 18.4997 -33.0400
9 C1y C 18.4997 -31.6400
10 C1y C 17.2873 -30.9400
11 C1y C 19.7122 -30.9400
12 C1z C 19.7122 -29.5400
13 C1x C 18.4997 -28.8400
14 C1x C 17.2873 -29.5400
15 C1x C 22.1370 -30.9400
16 C1x C 22.1370 -29.5400
17 C1y C 20.9246 -28.8400
18 O7a O 12.4376 -33.7400
19 C7a C 11.2421 -33.0496
20 C1b C 10.0547 -33.7351
21 C1a C 8.8635 -33.0471
22 O6a O 11.2420 -31.6403
23 C1a C 19.7122 -28.1400
24 O7a O 20.9246 -27.4400
25 C7a C 22.1411 -26.7377
26 C1b C 23.3386 -27.4292
27 C1a C 24.5249 -26.7443
28 O6a O 22.1411 -25.3402
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
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 12 17 1
21 2 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 19 22 2
26 12 23 1 #Up
27 17 24 1 #Up
28 24 25 1
29 25 26 1
30 26 27 1
31 25 28 2
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