ATOM 27
1 C8y C 8.3795 -18.3057
2 N4y N 8.8421 -19.6270
3 C8y C 10.2418 -19.5954
4 N4y N 10.6442 -18.2544
5 N5x N 9.4932 -17.4574
6 O2a O 7.0669 -17.9124
7 C1a C 6.0462 -18.8749
8 C1a C 8.0506 -20.7696
9 O5x O 11.0841 -20.7015
10 C5a C 11.8524 -17.5700
11 N1b N 13.0649 -18.2700 #-
12 S4a S 14.4873 -17.5700
13 C8y C 15.6997 -18.2700
14 O5a O 11.8582 -16.1703
15 O3c O 15.1873 -16.3576
16 O3c O 13.7873 -16.3576
17 C8x C 15.6997 -19.6699
18 C8x C 16.9122 -20.3699
19 C8x C 18.1246 -19.6699
20 C8x C 18.1246 -18.2700
21 C8y C 16.9122 -17.5700
22 O2a O 16.9122 -16.1703
23 C1d C 18.1454 -15.4580
24 X F 19.3515 -16.1541
25 X F 18.1451 -14.0701
26 X F 19.3579 -14.7580
27 Z Na 13.3000 -21.7700 #+
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 6 7 1
8 2 8 1
9 3 9 2
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 10 14 2
15 12 15 2
16 12 16 2
17 13 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 13 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 23 25 1
27 23 26 1
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