ATOM 25
1 Z Na 16.6022 -15.8092 #+
2 C2y C 24.9943 -17.9151
3 C1y C 23.8583 -17.2334
4 C1y C 26.1758 -17.2334
5 C2x C 24.9943 -19.2329
6 C8y C 22.6767 -17.9151
7 C1x C 23.8583 -15.9156
8 C1z C 26.1968 -15.9481
9 C1x C 23.8583 -19.9145
10 C8y C 22.6767 -19.2329
11 C8x C 21.4952 -17.2334
12 C1x C 25.0398 -15.2340
13 C1a C 26.2668 -14.5522
14 C8x C 21.5405 -19.9145
15 C8x C 20.3591 -17.9151
16 C8y C 20.3591 -19.2329
17 O2a O 19.1775 -19.9145
18 S4a S 18.0414 -19.2329
19 O1d O 16.6782 -18.5967
20 O1d O 17.3598 -20.5508
21 O1d O 18.6776 -17.9605 #-
22 C1x C 28.5389 -17.2334
23 C1x C 28.5389 -15.8702
24 C5x C 27.3574 -15.1884
25 O5x O 27.3504 -13.7826
BOND 27
1 2 3 1
2 2 4 1
3 2 5 2
4 3 6 1
5 4 8 1
6 5 9 1
7 6 10 2
8 6 11 1
9 7 12 1
10 8 13 1 #Up
11 10 14 1
12 11 15 2
13 14 16 2
14 16 17 1
15 17 18 1
16 18 19 2
17 18 20 2
18 18 21 1
19 8 12 1
20 9 10 1
21 15 16 1
22 3 7 1
23 4 22 1
24 22 23 1
25 23 24 1
26 8 24 1
27 24 25 2
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