ATOM 19
1 C8y C 28.3377 -19.5798
2 C1b C 29.7416 -19.5844
3 C8y C 25.5429 -19.5709
4 C8x C 26.2377 -20.7834
5 C8x C 27.6351 -20.7878
6 C8x C 27.6429 -18.3673
7 C8x C 26.2455 -18.3629
8 N1y N 24.1447 -19.5774
9 C5x C 23.3228 -18.4464
10 C2x C 21.9928 -18.8807
11 C2x C 21.9974 -20.2802
12 C5x C 23.3301 -20.7061
13 O5x O 23.7557 -17.1110
14 O5x O 23.7693 -22.0394
15 N1d N 30.4474 -18.3707 #+
16 C1a C 29.2227 -17.6637
17 C1a C 31.6548 -19.0676
18 C1a C 31.1371 -16.8660
19 X I 34.0569 -19.5987 #-
BOND 19
1 3 4 2
2 4 5 1
3 8 9 1
4 10 11 2
5 11 12 1
6 12 8 1
7 8 3 1
8 5 1 2
9 9 13 2
10 1 6 1
11 12 14 2
12 6 7 2
13 2 15 1
14 7 3 1
15 15 16 1
16 9 10 1
17 15 17 1
18 1 2 1
19 15 18 1
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