ATOM 27
1 C8x C 27.6962 -22.0080
2 C8y C 26.9992 -23.2222
3 C8x C 27.6986 -24.4381
4 C8x C 29.0961 -24.4360
5 C8y C 29.8002 -23.2217
6 C8y C 29.0998 -22.0095
7 C8y C 19.9261 -22.0330
8 C8y C 19.2437 -23.2626
9 C8x C 19.9579 -24.4627
10 C8x C 21.3551 -24.4438
11 C8y C 22.0445 -23.2212
12 C8x C 21.3296 -22.0176
13 C1y C 25.1616 -24.5607
14 C1y C 25.6026 -23.2286
15 O2x O 24.4646 -22.3992
16 C1y C 23.3198 -23.2286
17 C1y C 23.7605 -24.5607
18 O2a O 19.2151 -20.8268
19 O2a O 17.8428 -23.2101
20 O2a O 29.8054 -20.8033
21 O2a O 31.2012 -23.2227
22 C1a C 22.7734 -25.5556
23 C1a C 26.1740 -25.6286
24 C1a C 17.8142 -20.8430
25 C1a C 17.1237 -22.0678
26 C1a C 31.2063 -20.8050
27 C1a C 31.8991 -22.0092
BOND 29
1 14 15 1
2 15 16 1
3 16 17 1
4 17 13 1
5 16 11 1 #Down
6 14 2 1 #Up
7 4 5 1
8 7 18 1
9 5 6 2
10 8 19 1
11 7 8 1
12 6 20 1
13 8 9 2
14 5 21 1
15 9 10 1
16 10 11 2
17 11 12 1
18 17 22 1 #Down
19 12 7 2
20 6 1 1
21 13 23 1 #Up
22 1 2 2
23 18 24 1
24 2 3 1
25 19 25 1
26 3 4 2
27 20 26 1
28 13 14 1
29 21 27 1
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