ATOM 25
1 C1z C 25.6200 -15.4000
2 C1z C 24.4300 -16.1000
3 C1y C 25.6200 -14.0700
4 C1x C 24.2200 -15.4000
5 O2x O 24.6400 -14.4900
6 C1z C 23.3100 -15.4000
7 C1y C 26.9500 -16.1000
8 C1a C 24.4300 -17.4300
9 O2x O 24.4300 -13.3700
10 C1y C 26.9500 -14.0700
11 C1y C 23.3100 -14.0700
12 C1y C 22.1200 -16.0300
13 C1b C 23.3100 -16.6600
14 O7a O 28.1400 -16.7300
15 O1a O 28.1400 -13.3700
16 C2x C 22.1200 -13.3700
17 C5x C 20.9300 -15.4000
18 O1a O 21.4200 -17.0800
19 O1a O 22.7500 -17.9200
20 C2y C 20.9300 -14.0700
21 O5x O 19.7400 -16.0300
22 C1a C 19.7400 -13.3700
23 C7a C 29.3259 -15.9860
24 C1a C 30.5555 -16.6368
25 O6a O 29.3434 -14.5611
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 6 11 1
11 6 12 1
12 6 13 1 #Down
13 7 14 1 #Up
14 10 15 1 #Down
15 11 16 1
16 12 17 1
17 12 18 1 #Down
18 13 19 1
19 16 20 2
20 17 21 2
21 20 22 1
22 4 5 1
23 7 10 1
24 9 11 1
25 17 20 1
26 14 23 1
27 23 24 1
28 23 25 2
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