ATOM 20
1 C5x C 31.3600 -19.3200
2 C8y C 30.5200 -18.2000
3 C8y C 30.8700 -16.8700
4 N1y N 32.1300 -16.3100
5 N1x N 32.7600 -19.3200
6 C8y C 33.3900 -16.9400
7 C8y C 33.6700 -18.2700
8 N5x N 29.8200 -15.8900
9 C8x C 28.4900 -16.3100
10 C8x C 28.1400 -17.6400
11 C8x C 29.1900 -18.6200
12 C8y C 35.0000 -18.6900
13 C8x C 36.0500 -17.7800
14 C8x C 35.7700 -16.3800
15 N5x N 34.4400 -15.9600
16 O5x O 30.7300 -20.5800
17 C1y C 32.1300 -14.9100
18 C1a C 35.2800 -20.0900
19 C1x C 32.8300 -13.7200
20 C1x C 31.4300 -13.7200
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 1 16 2
19 4 17 1
20 12 18 1
21 19 20 1
22 20 17 1
23 17 19 1
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