ATOM 28
1 C8y C 23.2641 -18.3473
2 N5x N 23.2641 -19.7199
3 C8y C 24.4527 -20.4061
4 N5x N 25.6414 -19.7199
5 C8y C 25.6414 -18.3473
6 N5x N 24.4527 -17.6611
7 N1b N 26.8547 -17.6611 #-
8 C5a C 28.0434 -18.3473
9 N1b N 29.2320 -17.6611
10 S4a S 30.7638 -18.3473
11 C8y C 32.1584 -17.6611
12 O5a O 28.0434 -19.7197
13 O3c O 31.8839 -19.3082
14 O3c O 29.9403 -19.4673
15 C1a C 24.4527 -21.7785
16 O2a O 22.0755 -17.6611
17 C1a C 20.9034 -18.3379
18 C8x C 33.3674 -18.3593
19 C8y C 34.5562 -17.6734
20 C8x C 34.5564 -16.3008
21 C8x C 33.3474 -15.6024
22 C8y C 32.1587 -16.2886
23 X I 35.7625 -18.3705
24 C7a C 30.9331 -15.6159
25 O7a O 29.7254 -16.3131
26 C1a C 28.5179 -15.6159
27 O6a O 30.9179 -14.2220
28 Z Na 22.6006 -15.2569 #+
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 8 12 2
13 10 13 2
14 10 14 2
15 3 15 1
16 1 16 1
17 16 17 1
18 11 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 11 22 1
24 19 23 1
25 22 24 1
26 24 25 1
27 25 26 1
28 24 27 2
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