ATOM 20
1 C5x C 30.9400 -14.7000
2 N1x N 29.6800 -14.0700
3 C8y C 28.3500 -14.6300
4 C8y C 28.0000 -15.9600
5 C1x C 31.1500 -16.1000
6 C2y C 28.8400 -17.0800
7 N2x N 30.3100 -17.0800
8 N4y N 26.6700 -15.9600
9 N5x N 26.1100 -14.7700
10 C8y C 27.2300 -13.8600
11 C1b C 25.9000 -17.2900
12 C1a C 24.5000 -17.2900
13 C1a C 27.2300 -12.5300
14 O5x O 32.0600 -13.7900
15 C8y C 28.2100 -18.3400
16 C8x C 28.9100 -19.6000
17 C8x C 28.1400 -20.7900
18 C8x C 26.7400 -20.7900
19 C8x C 26.1100 -19.5300
20 C8x C 26.8100 -18.3400
BOND 22
1 3 4 2
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 4 8 1
9 8 9 1
10 9 10 2
11 3 10 1
12 8 11 1
13 11 12 1
14 10 13 1
15 1 14 2
16 6 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
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