ATOM 21
1 C8x C 28.6246 -20.8998
2 C8x C 27.4204 -20.2021
3 C8y C 27.4204 -18.7999
4 C8x C 28.6246 -18.0951
5 C8y C 29.8428 -20.2021
6 C8y C 29.8364 -18.8043
7 O2x O 31.1642 -18.3614
8 C1x C 31.9938 -19.4898
9 O2x O 31.1745 -20.6258
10 C8y C 26.2064 -18.0977
11 N4y N 24.9916 -18.8033
12 C8y C 24.9895 -15.9987
13 C8x C 26.2054 -16.6953
14 C8y C 23.7747 -16.6971
15 C8y C 23.7832 -18.0946
16 C8x C 22.5761 -18.8043
17 C8x C 21.3606 -18.1094
18 C8x C 21.3521 -16.7119
19 C8x C 22.5592 -16.0091
20 O5x O 25.0015 -14.5929
21 C1a C 25.0015 -20.2021
BOND 24
1 5 1 2
2 1 2 1
3 10 11 1
4 11 15 1
5 14 12 1
6 12 13 1
7 13 10 2
8 3 10 1
9 2 3 2
10 3 4 1
11 5 6 1
12 6 7 1
13 7 8 1
14 8 9 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 14 1
21 9 5 1
22 12 20 2
23 4 6 2
24 11 21 1
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