ATOM 21
1 C1z C 23.9573 -16.5152
2 C1y C 25.3069 -16.0894
3 C1y C 24.3901 -17.8591
4 C2x C 23.1339 -15.3827
5 O7x O 22.5495 -16.5093
6 C1y C 25.3069 -14.6817
7 C1y C 26.5399 -16.7906
8 C2y C 23.2446 -18.6954
9 O2x O 25.8154 -18.0175
10 C2x C 23.9632 -14.2372
11 C7x C 22.1051 -17.8532
12 C2y C 26.5399 -13.9631
13 O2x O 27.7598 -16.0894
14 C2b C 23.2387 -20.1090
15 O6a O 20.7555 -18.2858
16 C2x C 27.7598 -14.6700
17 C7a C 26.5399 -12.5436
18 C1a C 24.4601 -20.8217
19 O7a O 27.7598 -11.8367
20 O6a O 25.3069 -11.8425
21 C1a C 28.9869 -12.5436
BOND 24
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 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 2
14 11 15 2
15 12 16 2
16 12 17 1
17 14 18 1
18 17 19 1
19 17 20 2
20 19 21 1
21 6 10 1
22 7 9 1
23 8 11 1
24 13 16 1
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