ATOM 32
1 C1y C 25.5864 -21.2498
2 C5x C 25.5878 -22.6461
3 N1y N 26.9097 -22.6373
4 C1y C 26.9712 -21.2449
5 S4a S 27.9796 -23.6236
6 O5x O 24.6054 -23.6412
7 O1d O 28.9903 -24.6215 #-
8 N1b N 24.8834 -20.0325
9 O1d O 28.9688 -22.5870
10 O1d O 27.0215 -24.6279
11 C1b C 27.9533 -20.3021
12 O7a O 29.3638 -20.3021
13 C7a C 30.0656 -19.0864
14 N1a N 31.4503 -19.0866
15 O6a O 29.3576 -17.8595
16 C5a C 23.6760 -20.7448
17 C2c C 22.4579 -20.0416
18 C8y C 21.2398 -20.7448
19 C8x C 20.0218 -20.0416
20 O5a O 23.6827 -22.1513
21 N2b N 22.4579 -18.6353
22 S2x S 18.9764 -20.9828
23 C8y C 19.5486 -22.2677
24 N5x N 20.9474 -22.1207
25 N1a N 18.8348 -23.5036
26 O2a O 23.6052 -17.9210
27 C1b C 23.6052 -16.5145
28 C6a C 22.4039 -15.8211
29 O6a O 21.2020 -16.5152 #-
30 O6a O 22.4038 -14.4158
31 Z Na 30.9362 -24.5647 #+
32 Z Na 19.3315 -16.5253 #+
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 2 6 2
7 5 7 1
8 1 8 1 #Up
9 5 9 2
10 5 10 2
11 4 11 1 #Up
12 11 12 1
13 12 13 1
14 13 14 1
15 13 15 2
16 8 16 1
17 16 17 1
18 17 18 1
19 18 19 2
20 16 20 2
21 17 21 2
22 19 22 1
23 22 23 1
24 23 24 2
25 18 24 1
26 23 25 1
27 26 27 1
28 27 28 1
29 28 29 1
30 28 30 2
31 21 26 1
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