ATOM 41
1 C1y C 24.8500 -13.4400
2 O2x O 24.8500 -14.8400
3 C1x C 26.0624 -15.5400
4 C1y C 27.2749 -14.8400
5 C1y C 27.2749 -13.4400
6 C1y C 26.0624 -12.7400
7 O1a O 26.0624 -11.3402
8 O1a O 28.5060 -12.7290
9 O1a O 28.5060 -15.5510
10 C8y C 18.5793 -12.6178
11 C8y C 18.5793 -14.0174
12 C8y C 19.7866 -11.9179
13 O2x O 17.3720 -11.9179 #+
14 O2a O 19.9848 -16.2456
15 C8x C 17.3720 -14.7055
16 C8x C 20.9939 -12.6178
17 C8x C 19.7807 -10.5182
18 C8y C 16.1589 -12.6178
19 C1y C 21.1864 -16.9512
20 C8y C 16.1589 -14.0174
21 C8y C 22.2012 -11.9179
22 C8x C 20.9939 -9.8240
23 C8x C 14.9516 -11.9179
24 O2x O 21.1804 -18.3393
25 C1y C 22.3877 -16.2573
26 C8y C 14.9516 -14.7115
27 C8y C 22.2012 -10.5182
28 O1a O 23.4142 -12.6119
29 C8y C 13.7443 -12.6178
30 C1y C 22.3761 -19.0335
31 C1y C 23.5893 -16.9629
32 O2a O 22.3994 -14.8692
33 C8x C 13.7443 -14.0174
34 O1a O 14.9516 -16.0996
35 O1a O 23.4085 -9.8240
36 O1a O 12.5370 -11.9237
37 C1y C 23.5776 -18.3510
38 C1b C 22.3644 -20.4216
39 O1a O 24.8023 -16.2747
40 O1a O 24.7849 -19.0509
41 O1a O 21.1630 -21.1098
BOND 45
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 6 7 1 #Down
8 5 8 1 #Up
9 4 9 1 #Down
10 10 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 11 15 2
15 12 16 2
16 12 17 1
17 13 18 1
18 19 14 1 #Up
19 15 20 1
20 16 21 1
21 17 22 2
22 18 23 1
23 19 24 1
24 19 25 1
25 20 26 1
26 21 27 2
27 21 28 1
28 23 29 2
29 24 30 1
30 25 31 1
31 25 32 1 #Down
32 26 33 2
33 26 34 1
34 27 35 1
35 29 36 1
36 30 37 1
37 30 38 1 #Up
38 31 39 1 #Up
39 37 40 1 #Up
40 38 41 1
41 18 20 2
42 22 27 1
43 29 33 1
44 31 37 1
45 1 32 1 #Up
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