ATOM 21
1 C8y C 15.0449 -18.6713
2 N2b N 17.5529 -19.9951
3 C2c C 17.4833 -18.6016
4 C1b C 16.2292 -17.9747
5 C1b C 19.9215 -18.4623
6 S2a S 18.6675 -17.8353
7 C1c C 21.0362 -17.6960
8 N1a N 20.9665 -16.3027
9 C5a C 22.2902 -18.3230
10 O5a O 23.4745 -17.5567
11 N1b N 22.2902 -19.7164
12 C1b C 23.5442 -20.4130
13 O6a O 22.2902 -22.5030
14 C6a C 23.5442 -21.8063
15 O6a O 24.7286 -22.5030
16 C8x C 13.8054 -17.9694
17 C8x C 12.6063 -18.6749
18 C8x C 12.6179 -20.0663
19 C8x C 13.8574 -20.7682
20 C8x C 15.0565 -20.0626
21 O1b O 18.7657 -20.6952
BOND 21
1 2 3 2
2 3 4 1
3 1 4 1
4 5 6 1
5 3 6 1
6 5 7 1
7 7 8 1 #Down
8 7 9 1
9 9 10 2
10 9 11 1
11 11 12 1
12 13 14 2
13 12 14 1
14 14 15 1
15 1 16 2
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 1 20 1
21 2 21 1
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