ATOM 19
1 C8x C 36.9421 -17.5248
2 C8y C 36.9421 -18.9242
3 C8x C 35.7272 -19.6240
4 C8x C 34.5194 -18.9242
5 C8y C 34.5194 -17.5248
6 C8x C 35.7272 -16.8250
7 N1a N 38.1538 -19.6246
8 S4a S 33.3069 -16.8259
9 N1b N 32.0956 -17.5266
10 C8y C 30.8831 -16.8278
11 C8x C 29.6751 -17.5287
12 C8y C 28.4628 -16.8298
13 N5x N 28.4616 -15.4303
14 C8x C 29.6731 -14.7298
15 N5x N 30.8856 -15.4286
16 O2a O 27.2513 -17.5305
17 O3c O 32.3197 -15.8285
18 O3c O 34.3057 -15.8285
19 C1a C 26.0388 -16.8317
BOND 20
1 3 4 2
2 9 10 1
3 4 5 1
4 5 6 2
5 6 1 1
6 2 7 1
7 10 11 2
8 11 12 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 10 1
13 1 2 2
14 12 16 1
15 5 8 1
16 8 17 2
17 2 3 1
18 8 18 2
19 8 9 1
20 16 19 1
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