ATOM 19
1 C8y C 25.0428 -17.0889
2 S4a S 26.2435 -16.3896
3 C8x C 25.0428 -18.4935
4 C8x C 23.8364 -16.3896
5 N1b N 27.4557 -17.0889
6 O3c O 27.2342 -15.3931
7 O3c O 25.2585 -15.3988
8 C8x C 23.8364 -19.1870
9 C8x C 22.6184 -17.0889
10 C5a C 28.6679 -16.3896
11 C8y C 22.6184 -18.4935
12 N1a N 21.4002 -19.1811
13 C8y C 29.8996 -17.1017
14 O5a O 28.6684 -14.9804
15 C8x C 29.8986 -18.4800
16 C8x C 31.1105 -19.1809
17 C8x C 32.3235 -18.4818
18 C8x C 32.3245 -17.1035
19 C8x C 31.1126 -16.4026
BOND 20
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 2 7 2
7 3 8 2
8 4 9 1
9 5 10 1
10 8 11 1
11 11 12 1
12 9 11 2
13 10 13 1
14 10 14 2
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 13 19 1
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