ATOM 21
1 C8x C 24.7412 -17.9235
2 C8y C 24.7412 -19.2840
3 C8x C 25.9194 -19.9642
4 C8y C 27.0976 -19.2840
5 C8y C 27.0976 -17.9235
6 C8x C 25.9194 -17.2434
7 C1x C 28.2757 -19.9642
8 C1x C 29.4539 -19.2840
9 C1y C 29.4539 -17.9235
10 C1y C 28.2757 -17.2434
11 C1y C 30.6321 -17.2434
12 C1z C 30.6321 -15.8829
13 C1x C 29.4539 -15.2027
14 C1x C 28.2757 -15.8829
15 C1x C 32.9883 -17.2434
16 C5x C 32.9883 -15.8829
17 C1y C 31.8102 -15.2027
18 C1a C 30.6591 -14.5225
19 O1a O 31.8154 -13.8423
20 O5x O 34.1866 -15.1911
21 O1a O 23.5214 -19.9885
BOND 24
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1 #Up
23 16 20 2
24 2 21 1
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