ATOM 20
1 C1y C 26.9891 -19.9387
2 C1y C 26.9891 -21.3539
3 C1y C 27.9832 -18.9506
4 C1z C 25.5680 -19.9447
5 C1x C 25.5680 -21.3598
6 C2y C 27.9832 -22.3597
7 C5x C 29.3983 -18.9506
8 O7a O 27.9773 -17.5355
9 C1a C 24.5505 -18.9389
10 C1a C 24.1880 -20.3072
11 C1x C 29.3283 -22.3597
12 C2a C 27.4451 -23.6637
13 C2y C 30.3924 -19.9387
14 O5x O 29.3924 -17.5355
15 C7a C 26.7551 -16.8280
16 C1x C 30.3924 -21.6339
17 C2x C 29.3866 -20.6645
18 C1a C 31.7491 -19.5704
19 C1a C 25.5389 -17.5355
20 O6a O 26.7551 -15.4186
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 8 15 1
15 11 16 1
16 13 17 2
17 13 18 1
18 15 19 1
19 15 20 2
20 4 5 1
21 16 17 1
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