ATOM 21
1 C8x C 14.5600 -18.5500
2 C8y C 14.5600 -19.9500
3 C8x C 15.7724 -20.6500
4 C8x C 16.9849 -19.9500
5 C8y C 16.9849 -18.5500
6 C8x C 15.7724 -17.8500
7 N2b N 13.3476 -20.6500 #+
8 O3a O 12.1521 -19.9596 #-
9 O3a O 13.3475 -22.0498
10 O2b O 18.2224 -17.8500
11 P1a P 19.4349 -18.5500
12 O2b O 20.6473 -17.8500
13 S0 S 19.4349 -17.1500
14 C8y C 19.4349 -19.9500
15 C8x C 18.2414 -20.6393
16 C8x C 18.2416 -22.0393
17 C8x C 19.4542 -22.7391
18 C8x C 20.6476 -22.0498
19 C8x C 20.6474 -20.6498
20 C1b C 21.8618 -18.5512
21 C1a C 23.0583 -17.8602
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 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 11 12 1
13 11 13 2
14 11 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 12 20 1
22 20 21 1
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