ATOM 28
1 C1y C 18.4730 -15.4782
2 C1y C 17.2779 -16.1779
3 C1z C 18.4791 -14.0974
4 C1x C 20.8628 -15.4906
5 C1y C 16.0893 -15.4906
6 C1x C 17.3027 -17.5896
7 C1y C 19.6740 -13.4103
8 C1x C 17.2718 -13.4164
9 C1a C 18.5058 -12.6301
10 C1x C 20.8691 -14.1098
11 C1z C 14.9067 -16.1840
12 C1x C 16.1140 -13.9118
13 C1x C 16.1016 -18.2273
14 C1c C 19.6803 -12.0606
15 C1y C 14.9067 -17.5461
16 C1x C 13.7303 -15.5093
17 C1a C 14.8961 -14.5604
18 C1b C 20.8505 -11.3918
19 C1a C 18.1552 -11.3572
20 C1x C 13.7303 -18.2334
21 C1x C 12.5602 -16.1840
22 C1b C 22.0145 -12.0730
23 C5x C 12.5602 -17.5461
24 C1b C 23.1785 -11.4042
25 O5x O 11.3898 -18.2149
26 C1c C 24.3424 -12.0791
27 C1a C 25.5127 -11.4104
28 C1a C 24.3424 -13.4288
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 2
25 24 26 1
26 26 27 1
27 26 28 1
28 7 10 1
29 8 12 1
30 13 15 1
31 21 23 1
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