ATOM 25
1 C1x C 21.4200 -17.2200
2 C1x C 21.4200 -15.8200
3 C1x C 22.6100 -15.1200
4 C1x C 22.6100 -17.9200
5 N4y N 23.8000 -17.2200
6 N4y N 23.8000 -15.8200
7 C8y C 25.1300 -15.4000
8 S2x S 25.9700 -16.5200
9 C8y C 25.1300 -17.6400
10 O5x O 25.5500 -14.0700
11 N2b N 25.6200 -19.1800
12 C8y C 26.8100 -21.2800
13 C8y C 26.8100 -19.8800
14 C8x C 28.0700 -19.1800
15 C8y C 29.2600 -19.8800
16 C8y C 29.2600 -21.2800
17 C8x C 28.0700 -21.9100
18 X F 25.6200 -21.9100
19 X Cl 30.4500 -21.9100
20 S2a S 30.4500 -19.1800
21 C1b C 31.6400 -19.8800
22 C7a C 32.9000 -19.1800
23 O7a O 34.0900 -19.8800
24 C1a C 35.2800 -19.1800
25 O6a O 32.9000 -17.7800
BOND 27
1 2 3 1
2 3 6 1
3 5 4 1
4 5 6 1
5 6 7 1
6 12 13 1
7 13 14 2
8 14 15 1
9 15 16 2
10 16 17 1
11 17 12 2
12 13 11 1
13 7 8 1
14 12 18 1
15 8 9 1
16 16 19 1
17 9 5 1
18 15 20 1
19 4 1 1
20 20 21 1
21 7 10 2
22 21 22 1
23 22 23 1
24 9 11 2
25 23 24 1
26 1 2 1
27 22 25 2
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