ATOM 20
1 C8x C 26.9500 -18.2700
2 C8x C 26.9500 -19.6700
3 C8x C 28.1400 -20.3700
4 C8y C 29.4000 -19.6700
5 C8y C 29.4000 -18.2700
6 C8x C 28.1400 -17.5000
7 S2x S 30.5900 -20.3700
8 C8y C 31.7800 -19.6700
9 C8y C 31.7800 -18.2700
10 N4y N 30.5900 -17.5000
11 C8x C 33.0400 -20.3700
12 C8x C 34.2300 -19.6700
13 C8x C 34.2300 -18.2700
14 C8x C 33.0400 -17.5000
15 C1b C 30.5900 -16.1000
16 C1b C 31.7800 -15.4000
17 C1b C 32.9700 -16.1000
18 N1c N 34.1600 -15.4700
19 C1a C 35.3500 -16.1000
20 C1a C 34.1600 -14.0000
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 10 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 18 20 1
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