ATOM 21
1 C8x C 6.1600 -23.3100
2 C8x C 6.1600 -21.9100
3 C8x C 7.3500 -21.2100
4 C8y C 8.6100 -21.9100
5 C8y C 8.6100 -23.3100
6 C8x C 7.3500 -24.0100
7 N4y N 9.9400 -21.4900
8 C8y C 10.7100 -22.6100
9 N5x N 9.9400 -23.7300
10 N1b N 12.1100 -22.6100
11 C5a C 9.9400 -20.0900
12 O5a O 8.7500 -19.3900
13 N1b N 11.1300 -19.3900
14 C1b C 11.1300 -17.9900
15 C1b C 12.3200 -17.2900
16 S2a S 13.5800 -17.9900
17 C1a C 14.7700 -17.2900
18 C7a C 13.3224 -21.9100
19 O7a O 14.5349 -22.6100
20 O6a O 13.3224 -20.5102
21 C1a C 15.7660 -21.8990
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 7 11 1
13 11 12 2
14 11 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 10 18 1
20 18 19 1
21 18 20 2
22 19 21 1
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