ATOM 21
1 C1x C 7.5600 -16.4500
2 C1x C 7.5600 -17.8500
3 C1x C 8.7724 -18.5500
4 C1x C 9.9849 -17.8500
5 N1y N 9.9849 -16.4500
6 C1y C 8.7724 -15.7500
7 C1a C 8.7724 -14.3502
8 C5a C 11.2224 -15.7500
9 C1b C 12.4349 -16.4500
10 S2a S 13.6473 -15.7500
11 O5a O 11.2286 -14.3503
12 P1a P 15.0473 -15.7500
13 O2b O 16.4473 -15.7500
14 S0 S 15.0473 -14.3500
15 O2b O 15.0473 -17.1500
16 C1b C 16.2618 -17.8512
17 C1b C 17.1480 -16.9636
18 C1b C 18.5498 -16.9636
19 C1a C 19.2398 -18.1583
20 C1b C 16.4445 -19.2350
21 C1a C 17.7481 -19.7743
BOND 21
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 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 8 11 2
12 10 12 1
13 12 13 1
14 12 14 2
15 12 15 1
16 15 16 1
17 13 17 1
18 17 18 1
19 18 19 1
20 16 20 1
21 20 21 1
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