ATOM 28
1 C1z C 28.8039 -21.8325
2 C1y C 27.6182 -21.1350
3 C1z C 30.0594 -21.2047
4 C1y C 28.8039 -23.2972
5 C1a C 28.8039 -20.9273
6 C1z C 26.4325 -21.8325
7 C5x C 27.6182 -19.7400
8 C2y C 30.0594 -19.8098
9 C1x C 31.2451 -21.9022
10 C1x C 27.6182 -23.9946
11 O7x O 30.0594 -23.9946
12 C1y C 26.4325 -23.2972
13 C5x C 25.2468 -21.1350
14 C1a C 26.4325 -20.5073
15 C2y C 28.8039 -19.0426
16 C7x C 31.2451 -23.3669
17 C1y C 25.2468 -23.9946
18 C1y C 23.9216 -21.8325
19 O5x O 25.2468 -19.7400
20 O6a O 32.5005 -24.0644
21 C1x C 23.9216 -23.2972
22 C1a C 25.2468 -25.3896
23 O1a O 30.0594 -22.5299
24 O1a O 22.7359 -21.1350
25 C1a C 31.2451 -19.1123
26 O5x O 26.6417 -18.7636
27 O2a O 28.8157 -17.6476
28 C1a C 30.0206 -16.9654
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 9 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 16 20 2
20 17 21 1
21 17 22 1 #Down
22 8 15 2
23 10 12 1
24 11 16 1
25 18 21 1
26 3 23 1 #Up
27 18 24 1 #Down
28 8 25 1
29 7 26 2
30 15 27 1
31 27 28 1
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