ATOM 37
1 C8y C 18.2294 -13.9462
2 C1x C 19.6391 -13.9462
3 C1y C 20.6259 -14.9330
4 C1z C 20.6259 -16.3427
5 C1y C 19.6391 -17.3295
6 C8y C 18.2294 -17.3295
7 C8y C 17.2426 -16.3427
8 C8y C 17.2426 -14.9330
9 C8x C 17.8770 -12.6069
10 C8y C 16.4672 -12.2545
11 C8y C 15.4804 -13.2413
12 C8y C 15.8329 -14.5806
13 C8y C 15.8329 -16.6952
14 C8y C 15.4804 -18.1049
15 C8y C 16.4672 -19.0917
16 C8x C 17.8065 -18.7393
17 C1a C 13.4363 -14.5806
18 O2a O 14.6346 -15.2854
19 O2a O 14.6346 -16.2722
20 C1a C 13.4363 -16.9771
21 C1a C 21.8947 -14.3691
22 C1a C 21.8243 -15.6379
23 O1a O 21.3309 -17.5410
24 O7a O 20.2030 -18.5983
25 C7a C 21.4014 -19.3032
26 O6a O 22.5996 -18.5983
27 C2c C 21.4014 -20.7130
28 C2b C 22.5996 -21.4179
29 C1a C 20.2030 -21.4179
30 C1a C 23.7978 -20.7130
31 O2x O 14.2370 -18.7385
32 C1x C 14.4553 -20.1169
33 O2x O 15.8337 -20.3352
34 O2a O 14.1164 -12.8727
35 O2a O 16.0912 -10.8967
36 C1a C 13.4164 -11.6602
37 C1a C 14.8788 -10.1967
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1 #Down
9 1 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 7 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 6 16 2
19 17 18 1
20 18 12 1
21 19 13 1
22 19 20 1
23 3 21 1 #Down
24 4 22 1 #Up
25 4 23 1 #Down
26 5 24 1 #Up
27 24 25 1
28 25 26 2
29 25 27 1
30 27 28 2
31 27 29 1
32 28 30 1
33 14 31 1
34 31 32 1
35 32 33 1
36 15 33 1
37 11 34 1
38 10 35 1
39 34 36 1
40 35 37 1
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