ATOM 27
1 C1y C 29.0710 -16.5941
2 O2x O 27.8500 -15.8931
3 C1y C 29.0710 -17.9962
4 O2a O 30.2860 -15.9048
5 C1y C 26.6465 -16.5941
6 C1y C 27.8500 -18.6972
7 O1a O 30.2802 -18.6972
8 C1c C 31.5186 -16.5590
9 C1y C 26.6465 -17.9962
10 C1b C 25.4315 -15.8931
11 O1a O 27.8500 -20.0993
12 C2c C 32.6928 -15.8229
13 C3b C 31.5069 -17.9552
14 O1a O 25.4315 -18.5572
15 O2a O 24.3625 -16.8043
16 C1a C 33.9021 -16.5299
17 C2a C 32.6869 -14.4268
18 N3a N 31.5010 -19.3572
19 C1y C 23.1532 -17.5113
20 C1y C 23.1532 -18.9134
21 O2x O 21.9263 -16.8103
22 C1y C 21.9263 -19.6144
23 O1a O 24.3565 -19.6144
24 C1x C 20.7230 -17.5171
25 C1y C 20.7230 -18.9134
26 O1a O 21.9263 -21.0163
27 O1a O 19.5078 -19.6144
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 8 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 12 17 2
17 13 18 3
18 19 15 1 #Up
19 19 20 1
20 19 21 1
21 20 22 1
22 20 23 1 #Down
23 21 24 1
24 22 25 1
25 22 26 1 #Up
26 25 27 1 #Up
27 6 9 1
28 24 25 1
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