ATOM 21
1 C1x C 28.2800 -17.6400
2 C8y C 27.4400 -16.5200
3 C8y C 27.7900 -15.1900
4 N1y N 29.0500 -14.6300
5 C1x C 29.6800 -17.6400
6 C8y C 30.3100 -15.2600
7 C8y C 30.5900 -16.5900
8 C8x C 26.7400 -14.2100
9 C8x C 25.4100 -14.6300
10 C8x C 25.0600 -15.9600
11 C8x C 26.1100 -16.9400
12 C8x C 31.9200 -17.0100
13 C8x C 32.9700 -16.1000
14 C8x C 32.6900 -14.7000
15 C8x C 31.3600 -14.2800
16 C1b C 29.0500 -13.2300
17 C1b C 30.2400 -12.5300
18 C1b C 31.4300 -13.2300
19 N1c N 32.6900 -12.6000
20 C1a C 33.8800 -13.3000
21 C1a C 32.6900 -11.2000
BOND 23
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 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 1
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