ATOM 25
1 C1y C 29.2220 -18.4892
2 C1y C 30.4379 -19.1925
3 O2x O 31.6465 -18.4892
4 C2x C 31.6465 -17.0897
5 C1y C 29.2220 -17.0897
6 C2y C 30.4413 -16.3996
7 C5x C 30.4495 -14.9975
8 N1x N 29.2385 -14.2859
9 C1x C 28.0194 -14.9832
10 C1x C 28.0112 -16.3851
11 O5x O 31.6666 -14.3015
12 C2b C 28.0095 -19.1930
13 C2a C 26.7961 -18.4904
14 O2a O 30.4396 -20.5919
15 C1y C 29.2276 -21.2896
16 O2x O 28.0183 -20.5905
17 C1y C 26.8063 -21.2883
18 C1y C 26.8079 -22.6878
19 C1y C 28.0218 -23.3894
20 C1y C 29.2338 -22.6848
21 C1b C 25.5924 -20.5936
22 O1a O 28.0235 -24.7889
23 O1a O 30.4487 -23.3845
24 O1a O 25.5959 -23.3925
25 O1a O 24.3875 -21.2913
BOND 27
1 1 2 1
2 1 12 1 #Down
3 2 3 1
4 12 13 2
5 3 4 1
6 2 14 1 #Up
7 4 6 2
8 15 14 1 #Up
9 5 6 1
10 6 7 1
11 7 8 1
12 8 9 1
13 9 10 1
14 15 16 1
15 16 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 20 15 1
20 10 5 1
21 17 21 1 #Up
22 19 22 1 #Up
23 7 11 2
24 20 23 1 #Down
25 5 1 1
26 18 24 1 #Down
27 21 25 1
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