ATOM 24
1 C1x C 9.9400 -16.2400
2 C1x C 9.9400 -17.6400
3 C1x C 11.1524 -18.3400
4 N4y N 12.3649 -17.6400
5 N4y N 12.3649 -16.2400
6 C1x C 11.1524 -15.5400
7 C8y C 13.6964 -18.0726
8 S2x S 14.5193 -16.9400
9 C8y C 13.6964 -15.8074
10 N2b N 13.6964 -19.4726
11 C8y C 14.9208 -20.1798
12 C8y C 14.9204 -21.5600
13 C8x C 16.1327 -22.2603
14 C8y C 17.3453 -21.5606
15 C8y C 17.3457 -20.1804
16 C8x C 16.1334 -19.4801
17 S2a S 18.5724 -19.4600
18 C1b C 19.7849 -20.1600
19 C6a C 20.9973 -19.4600
20 O6a O 22.2097 -20.1600
21 O6a O 20.9973 -18.0600
22 X F 13.7000 -22.2642
23 X Cl 18.5683 -22.2672
24 O5x O 14.1275 -14.4806
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 2
24 12 22 1
25 14 23 1
26 9 24 2
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