ATOM 21
1 C8y C 31.1096 -26.3702
2 C8x C 31.1083 -27.7760
3 C8x C 29.8909 -28.4786
4 C8y C 28.6817 -27.7755
5 C8x C 28.6772 -26.3733
6 C8y C 29.8875 -25.6708
7 N2b N 32.3210 -25.6676 #+
8 O3a O 33.5310 -26.3638
9 O3a O 32.3234 -24.2653 #-
10 C1a C 27.4760 -28.4779
11 O2b O 29.8951 -24.2719
12 P1a P 28.6853 -23.5686
13 N1b N 27.4741 -24.2642
14 C1c C 26.2616 -23.5707
15 C1b C 25.0503 -24.2662
16 C1a C 23.8405 -23.5632
17 C1a C 26.2701 -22.1649
18 O2b O 28.6843 -22.1796
19 C1b C 29.8954 -21.4841
20 C1a C 31.1149 -22.1705
21 S0 S 28.7154 -24.9758
BOND 21
1 4 5 2
2 6 11 1
3 5 6 1
4 11 12 1
5 6 1 2
6 12 13 1
7 13 14 1
8 1 7 1
9 14 15 1
10 1 2 1
11 15 16 1
12 7 8 2
13 14 17 1
14 2 3 2
15 12 18 1
16 7 9 1
17 18 19 1
18 3 4 1
19 19 20 1
20 4 10 1
21 12 21 2
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