ATOM 21
1 C1x C 9.9400 -8.1200
2 C5x C 9.9400 -9.5200
3 N1x N 11.1524 -10.2200
4 C8y C 12.3649 -9.5200
5 C8y C 12.3649 -8.1200
6 C1x C 11.1524 -7.4200
7 C8x C 13.5773 -10.2200
8 C8x C 14.7897 -9.5200
9 C8x C 14.7897 -8.1200
10 C8y C 13.5773 -7.4200
11 O5x O 8.7276 -10.2200
12 O2a O 13.5773 -6.0200
13 C1b C 14.7918 -5.3188
14 C1c C 15.9883 -6.0098
15 C1b C 17.1751 -5.3246
16 O1a O 15.9884 -7.4197
17 N1b N 18.3666 -6.0128
18 C1d C 19.5560 -5.3261
19 C1a C 20.7515 -4.6359
20 C1a C 20.2465 -6.5227
21 C1a C 18.8471 -4.0978
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 2 11 2
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 18 20 1
22 18 21 1
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