ATOM 17
1 C1y C 21.4900 -18.6200
2 C1x C 21.9800 -19.9500
3 C1x C 23.3100 -19.9500
4 C1y C 23.7300 -18.5500
5 O2x O 22.6100 -17.7800
6 N4y N 24.8500 -17.9200
7 C8y C 26.1800 -17.5000
8 C8y C 26.1800 -16.1000
9 N5x N 24.8500 -15.6100
10 N5x N 27.3700 -18.2000
11 C8x C 28.6300 -17.5000
12 N4x N 28.6300 -16.1000
13 C8y C 27.4400 -15.4000
14 O5x O 27.4400 -14.0000
15 C1b C 20.1600 -18.2000
16 O1a O 19.1800 -19.1800
17 C8x C 23.9400 -16.7300
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 7 8 2
8 7 10 1
9 10 11 2
10 11 12 1
11 12 13 1
12 8 13 1
13 13 14 2
14 4 6 1 #Up
15 1 15 1 #Up
16 15 16 1
17 9 17 2
18 17 6 1
19 9 8 1
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