ATOM 21
1 C2y C 32.5500 -17.5000
2 C8y C 31.7100 -16.3800
3 C8y C 32.0600 -15.0500
4 N1y N 33.3200 -14.4900
5 N2x N 33.9500 -17.5000
6 C5x C 34.5800 -15.1200
7 C1y C 34.8600 -16.4500
8 C8x C 31.0100 -14.0700
9 C8x C 29.6800 -14.4900
10 C8y C 29.3300 -15.8200
11 C8x C 30.3800 -16.8000
12 O1a O 36.1900 -16.8700
13 O5x O 35.6300 -14.1400
14 X Cl 28.0000 -16.2400
15 C8y C 31.9200 -18.7600
16 C8x C 30.5200 -18.7600
17 C8x C 29.8200 -19.9500
18 C8x C 30.5200 -21.2100
19 C8x C 31.9200 -21.2100
20 C8x C 32.6200 -19.9500
21 C1a C 33.3200 -13.0900
BOND 23
1 3 4 1
2 1 5 2
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 1
14 6 13 2
15 10 14 1
16 1 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 15 20 2
23 4 21 1
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