ATOM 25
1 C1y C 27.9704 -17.7777
2 C1z C 30.1194 -16.5279
3 C1y C 29.0501 -15.9031
4 C1y C 30.1255 -17.7655
5 C1x C 31.1949 -15.9092
6 C1x C 31.1829 -17.1408
7 C1z C 27.9748 -16.5279
8 C1x C 29.0501 -14.6656
9 C6a C 31.2789 -18.4384
10 C1y C 31.1949 -14.6715
11 C2y C 32.2582 -15.2783
12 C1x C 26.8934 -15.9031
13 C1x C 27.9628 -15.2783
14 C1x C 30.1194 -14.0529
15 C1z C 26.8934 -18.3964
16 O6a O 32.4503 -17.7535
17 O6a O 31.2730 -19.7902
18 C2a C 33.4478 -14.9599
19 C1x C 25.8240 -16.5279
20 O7x O 26.8273 -14.6295
21 C1y C 25.8240 -17.7715
22 C7x C 25.6838 -15.2806
23 O6a O 24.2464 -15.2806
24 C1a C 26.8815 -19.8322
25 O1a O 24.6106 -18.4678
BOND 29
1 2 4 1
2 2 5 1
3 2 6 1 #Up
4 3 7 1
5 3 8 1
6 4 1 1
7 4 9 1 #Up
8 5 10 1
9 6 11 1
10 7 12 1
11 7 13 1 #Down
12 8 14 1
13 1 15 1
14 9 16 1
15 9 17 2
16 11 18 2
17 13 20 1
18 15 21 1
19 7 1 1
20 10 11 1 #Up
21 10 14 1
22 19 21 1
23 20 22 1
24 15 22 1 #Down
25 22 23 2
26 2 3 1
27 15 24 1 #Up
28 19 12 1
29 21 25 1 #Up
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