ATOM 25
1 C1y C 21.7573 -15.0333
2 C1y C 21.7514 -16.4141
3 C1y C 20.4464 -14.6080
4 C1b C 23.1670 -13.7866
5 C1y C 20.4581 -16.8336
6 C2b C 22.9515 -17.0899
7 C1x C 19.6424 -15.7266
8 O1a O 19.9919 -13.2564
9 C2b C 24.3556 -14.4799
10 O1a O 20.0212 -18.1910
11 C2b C 24.1400 -16.4141
12 C2b C 25.7130 -14.4799
13 C1c C 25.3284 -17.0899
14 C1b C 26.8956 -13.7866
15 C1b C 26.5170 -16.4141
16 O1a O 25.3284 -18.4648
17 C1b C 28.0726 -14.4683
18 C2b C 27.7114 -17.0899
19 C1b C 29.2610 -13.7808
20 C2b C 29.1037 -17.0899
21 C6a C 30.4436 -14.4507
22 C1b C 30.2980 -16.3849
23 O6a O 31.6613 -13.7458
24 O6a O 30.4612 -15.8432
25 C1a C 31.5099 -17.0723
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1 #Down
10 6 11 2
11 9 12 2
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 15 18 1
18 17 19 1
19 18 20 2
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 5 7 1
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