ATOM 20
1 C1x C 29.8900 -19.7400
2 C8y C 28.9800 -18.6200
3 C8y C 29.3300 -17.2200
4 C2y C 30.5900 -16.6600
5 C1x C 31.2900 -19.7400
6 C8y C 31.8500 -17.2900
7 C8y C 32.1300 -18.6200
8 C8x C 28.3500 -16.2400
9 C8x C 27.0200 -16.6600
10 C8x C 26.6700 -17.9900
11 C8x C 27.6500 -18.9700
12 C8x C 33.4600 -19.1100
13 C8x C 34.5100 -18.1300
14 C8x C 34.2300 -16.8000
15 C8x C 32.9000 -16.3800
16 C2b C 30.5900 -15.2600
17 C1b C 31.7800 -14.6300
18 C1b C 32.9700 -15.3300
19 N1b N 34.1600 -14.6300
20 C1a C 35.4200 -15.3300
BOND 22
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
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