ATOM 28
1 C1y C 22.0644 -18.0964
2 C1y C 22.0644 -19.4990
3 C1y C 23.2790 -20.2003
4 C1y C 24.4938 -19.4990
5 C1y C 24.4938 -18.0964
6 O2x O 23.2790 -17.3951
7 C1b C 20.8497 -17.3951
8 O1a O 19.6520 -18.0868
9 O1a O 23.2790 -21.6027
10 O2a O 25.7271 -17.3841
11 C1y C 25.7271 -15.9815
12 O1a O 20.8497 -20.2003
13 O1a O 25.7271 -20.2113
14 C1y C 26.9250 -15.2899
15 C1y C 26.9250 -13.8873
16 C2y C 25.7104 -13.1860
17 C2x C 24.5125 -13.8776
18 O2x O 24.5125 -15.2802
19 C1z C 28.2590 -15.7233
20 C2x C 29.0834 -14.5886
21 C2x C 28.2590 -13.4539
22 C7a C 25.7104 -11.7847
23 O6a O 26.9256 -11.0831
24 O7a O 24.4963 -11.0837
25 C1a C 23.2987 -11.7752
26 C1b C 28.6866 -17.0401
27 O1a O 30.0305 -17.3263
28 O1a O 29.6616 -15.7233
BOND 30
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 1 7 1 #Up
8 7 8 1
9 3 9 1 #Up
10 5 10 1 #Up
11 11 10 1 #Up
12 2 12 1 #Down
13 4 13 1 #Down
14 11 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 11 18 1
20 14 19 1
21 19 20 1
22 20 21 2
23 15 21 1
24 16 22 1
25 22 23 2
26 22 24 1
27 24 25 1
28 19 26 1 #Down
29 26 27 1
30 19 28 1 #Up
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