ATOM 31
1 C1y C 22.3129 -15.2372
2 C1x C 21.1907 -14.3254
3 C1y C 19.8580 -14.6761
4 C1x C 19.2268 -15.9386
5 C1y C 22.3129 -16.6400
6 C1x C 19.8580 -17.2011
7 C1z C 21.1907 -17.4816
8 C1x C 23.6455 -17.0608
9 C1y C 24.4872 -15.9386
10 C1z C 23.6455 -14.8164
11 O1a O 25.8900 -15.9386
12 C1b C 21.1907 -18.8844
13 O1a O 19.9983 -19.5858
14 O1a O 19.9983 -18.1830
15 C1d C 18.6657 -13.9747
16 O2a O 17.4733 -14.6761
17 C1y C 16.2585 -15.3775
18 O2x O 15.0606 -14.6857
19 C1y C 13.8457 -15.3870
20 C1y C 13.8455 -16.7898
21 C1y C 15.0434 -17.4815
22 C1y C 16.2583 -16.7802
23 O1a O 17.4899 -17.4917
24 O1a O 15.0432 -18.8842
25 O1a O 12.6203 -17.4971
26 C1b C 12.6121 -14.6746
27 O1a O 11.4128 -15.3669
28 O1a O 23.6455 -13.4136
29 C1a C 25.0005 -14.4533
30 C1a C 19.3671 -12.7599
31 C1a C 17.9643 -12.7599
BOND 33
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 9 11 1 #Up
13 7 12 1
14 12 13 1
15 7 14 1 #Down
16 3 15 1 #Up
17 15 16 1
18 17 16 1 #Up
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 22 23 1 #Down
26 21 24 1 #Up
27 20 25 1 #Down
28 19 26 1 #Up
29 26 27 1
30 10 28 1 #Down
31 10 29 1 #Up
32 15 30 1
33 15 31 1
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